Geometry & MOs

Info

ID:	174824
PubChem CID:	75819700
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	376.133102
ΔH_f, kcal/mol:	-34.73
Dipole, Da:	2.74
IP(EA), eV:	-8.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-methoxy-2-nitrophenyl)-3-(2-thiophen-3-ylpyrrolidin-1-ium-1-yl)propanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)NC(=O)NCC(C2=CC=CS2)N3CCCC3

DOS

IR

Vibrations