Geometry & MOs

Info

ID:	57392
PubChem CID:	22395820
Reduced:	ClSN3O6C24H30 (1)
Stoich.:	ABC3D6E24F30 (1)
Weight, g/mol:	606.079441
ΔH_f, kcal/mol:	-235.76
Dipole, Da:	3.81
IP(EA), eV:	-8.73(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CC(CN2)NS(=O)(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations