Geometry & MOs

Info

ID:	437863
PubChem CID:	135227202
Reduced:	IPH7C9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	409.218784
ΔH_f, kcal/mol:	107.99
Dipole, Da:	1.99
IP(EA), eV:	-8.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=C(C=C2)C3=CC=C(C=C3)P)I)I)P

DOS

IR

Vibrations