Geometry & MOs

Info

ID:	437800
PubChem CID:	135227086
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	404.137005
ΔH_f, kcal/mol:	-24.78
Dipole, Da:	5.09
IP(EA), eV:	-8.12(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2,2-difluorocyclopropyl)methoxy]-5-propan-2-ylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCS(=NC1=CC(=C(C=C1)OC2=CC=CC=C2)C3=CN(C(=O)C4=C3C=CN4)C)(=O)CC

DOS

IR

Vibrations