Geometry & MOs

Info

ID:	141382
PubChem CID:	52871676
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	344.143273
ΔH_f, kcal/mol:	-43.51
Dipole, Da:	4.2
IP(EA), eV:	-8.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-[[2-[(2-thiophen-2-ylacetyl)amino]phenyl]methyl]pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)CC2=CC=CC=C2NC(=O)CC3=CC=CS3)C(=O)N

DOS

IR

Vibrations