Geometry & MOs

Info

ID:	57468
PubChem CID:	22395996
Reduced:	SCl2N2O6C24H28 (1)
Stoich.:	AB2C2D6E24F28 (1)
Weight, g/mol:	539.966104
ΔH_f, kcal/mol:	-252.31
Dipole, Da:	4.3
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations