Geometry & MOs

Info

ID:	437732
PubChem CID:	135226961
Reduced:	OSN3C20H31 (1)
Stoich.:	ABC3D20E31 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	4.99
Dipole, Da:	8.92
IP(EA), eV:	-8.34(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-methylsulfinylphenyl]-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)C3CC3)/C(=C/NC)/C

DOS

IR

Vibrations