Geometry & MOs

Info

ID:	447420
PubChem CID:	135282759
Reduced:	FCl2N3O4C29H30 (1)
Stoich.:	AB2C3D4E29F30 (1)
Weight, g/mol:	624.195104
ΔH_f, kcal/mol:	-163.02
Dipole, Da:	5.54
IP(EA), eV:	-9.66(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1R)-1-(4-fluorooxan-4-yl)-1-hydroxypropyl]-1-(3-hydroxycyclobutyl)oxy-3-oxoisoindol-2-yl]methyl]pyrimidine-5-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

CCC(C1CCC(CC1)O)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=NC=C(C=N4)Cl)(C5=CC=C(C=C5)Cl)OC)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

CCC(C1CCC(CC1)O)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=NC=C(C=N4)Cl)(C5=CC=C(C=C5)Cl)OC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):