Geometry & MOs

Info

ID:	57452
PubChem CID:	22395955
Reduced:	SCl2N2O5C22H24 (1)
Stoich.:	AB2C2D5E22F24 (1)
Weight, g/mol:	607.058291
ΔH_f, kcal/mol:	-190.58
Dipole, Da:	9.32
IP(EA), eV:	-9.81(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations