Geometry & MOs

Info

ID:	437695
PubChem CID:	135226860
Reduced:	SO2N4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	404.137005
ΔH_f, kcal/mol:	-37.34
Dipole, Da:	6.52
IP(EA), eV:	-8.29(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)S(=N)(=O)C)C3=CN(C(=O)C4=C3C=C(N4)C)C

DOS

IR

Vibrations