Geometry & MOs

Info

ID:	57492
PubChem CID:	22396052
Reduced:	Cl2N2S2O5C14H16 (1)
Stoich.:	A2B2C2D5E14F16 (1)
Weight, g/mol:	617.180741
ΔH_f, kcal/mol:	-200.87
Dipole, Da:	7.78
IP(EA), eV:	-9.26(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-[(2-phenylacetyl)amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CS)C(=O)O

DOS

IR

Vibrations