Geometry & MOs

Info

ID:	165733
PubChem CID:	74588537
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	388.133102
ΔH_f, kcal/mol:	-31.77
Dipole, Da:	5.38
IP(EA), eV:	-8.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2-phenoxypropanamide

Drug info:

PubChemData

Smile

CC1CC(=O)C(CN1)C(=O)NCC2=C(N=CC=C2)N(C)CC3=CC=CC=C3

DOS

IR

Vibrations