Geometry & MOs

Info

ID:	437690
PubChem CID:	135226855
Reduced:	SO4C19H30 (1)
Stoich.:	AB4C19D30 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-200.93
Dipole, Da:	3.33
IP(EA), eV:	-8.4(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-(propan-2-ylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1(CCC(CC1C(=O)OC)SC)C2CCCCC2

DOS

IR

Vibrations