Geometry & MOs

Info

ID:	141383
PubChem CID:	52871677
Reduced:	SO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-15.06
Dipole, Da:	1.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763970
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations