Geometry & MOs

Info

ID:	447402
PubChem CID:	135282602
Reduced:	FCl2N3O3H26C27 (1)
Stoich.:	AB2C3D3E26F27 (1)
Weight, g/mol:	618.240912
ΔH_f, kcal/mol:	-93.66
Dipole, Da:	5.22
IP(EA), eV:	-9.32(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-3-oxoisoindol-2-yl]methyl]pyridine-3-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(C1CN(C1)C)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=NC=C(C=C4)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

CC(C1CN(C1)C)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=NC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)OC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):