Geometry & MOs

Info

ID:	57461
PubChem CID:	22395982
Reduced:	FSN2O6C25H31 (1)
Stoich.:	ABC2D6E25F31 (1)
Weight, g/mol:	436.085971
ΔH_f, kcal/mol:	-281.69
Dipole, Da:	7.22
IP(EA), eV:	-8.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(3-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC=CC(=C2)F)C(=O)NC(CC3=CC=C(C=C3)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations