Geometry & MOs

Info

ID:	57442
PubChem CID:	22395936
Reduced:	NO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	460.03297
ΔH_f, kcal/mol:	-126.11
Dipole, Da:	5.72
IP(EA), eV:	-8.82(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CC2=CC=CC=C2)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)O

DOS

IR

Vibrations