Geometry & MOs

Info

ID:	441560
PubChem CID:	135236137
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	508.087512
ΔH_f, kcal/mol:	-86.58
Dipole, Da:	7.27
IP(EA), eV:	-8.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(cyanomethyl)phenyl]sulfonylphenyl]-6-(methanesulfonamido)indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)(C2=CC(=CC=C2)N3C(=CC4=C3C=C(C=C4)NS(=O)(=O)C)C(=O)N)O

DOS

IR

Vibrations