Geometry & MOs

Info

ID:

57481

PubChem CID:

22396023

Reduced:

N2S2O8C25H32 (1)

Stoich.:

A2B2C8D25E32 (1)

Weight, g/mol:

636.166568

ΔHf, kcal/mol:

-314.9

Dipole, Da:

3.66

IP(EA), eV:

 -8.62(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations