Geometry & MOs

Info

ID:	57464
PubChem CID:	22395987
Reduced:	F3N3O4C18H22 (1)
Stoich.:	A3B3C4D18E22 (1)
Weight, g/mol:	509.057897
ΔH_f, kcal/mol:	-332.1
Dipole, Da:	10.48
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-2-[[1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2(C(CCN2)C(F)(F)F)C

DOS

IR

Vibrations