Geometry & MOs

Info

ID:

169036

PubChem CID:

75057838

Reduced:

ClSN2O5C32H35 (1)

Stoich.:

ABC2D5E32F35 (1)

Weight, g/mol:

579.195855

ΔHf, kcal/mol:

-151.38

Dipole, Da:

4.41

IP(EA), eV:

 -9.42(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-tert-butyl-2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2C(C=C(C2C3=CC=C(C=C3)Cl)C(=O)NC(CC4=CC=CC=C4)C(=O)OC)C(C)(C)C

DOS

IR

Vibrations