Geometry & MOs

Info

ID:	64172
PubChem CID:	29197758
Reduced:	SO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	454.203862
ΔH_f, kcal/mol:	-73.95
Dipole, Da:	8.59
IP(EA), eV:	-8.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2S)-2-(1H-indol-3-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-2,6-dimethylphenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCCC4

DOS

IR

Vibrations