Geometry & MOs

Info

ID:	57398
PubChem CID:	22395828
Reduced:	SN4O9C22H24 (1)
Stoich.:	AB4C9D22E24 (1)
Weight, g/mol:	502.053226
ΔH_f, kcal/mol:	-177.48
Dipole, Da:	6.6
IP(EA), eV:	-9.81(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations