Geometry & MOs

Info

ID:	57430
PubChem CID:	22395912
Reduced:	SN2O5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	539.966104
ΔH_f, kcal/mol:	-213.2
Dipole, Da:	6.44
IP(EA), eV:	-9.31(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations