Geometry & MOs

Info

ID:	437810
PubChem CID:	135227096
Reduced:	SO2N4C24H38 (1)
Stoich.:	AB2C4D24E38 (1)
Weight, g/mol:	409.218784
ΔH_f, kcal/mol:	-48.09
Dipole, Da:	8.82
IP(EA), eV:	-8.54(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)S(=N)(=O)C3CC3)CCCC/C=C(/C(=O)NC)\N

DOS

IR

Vibrations