Geometry & MOs

Info

ID:	447422
PubChem CID:	135282764
Reduced:	FCl2N4O4C32H35 (1)
Stoich.:	AB2C4D4E32F35 (1)
Weight, g/mol:	655.192852
ΔH_f, kcal/mol:	-153.75
Dipole, Da:	0.75
IP(EA), eV:	-8.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1R)-1-(4-chlorophenyl)-2-[(5-chloropyrimidin-2-yl)methyl]-7-fluoro-5-[(1S)-1-(4-fluoro-1-methylpiperidin-4-yl)-1-hydroxypropyl]-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@](C1CCN(CC1)C)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=NC=C(C=N4)Cl)(C5=CC=C(C=C5)Cl)O[C@H]6CCOC6)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@](C1CCN(CC1)C)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=NC=C(C=N4)Cl)(C5=CC=C(C=C5)Cl)O[C@H]6CCOC6)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):