Geometry & MOs

Info

ID:

17632

PubChem CID:

508550

Reduced:

S2N3O7C32H41 (1)

Stoich.:

A2B3C7D32E41 (1)

Weight, g/mol:

643.238593

ΔHf, kcal/mol:

-257.42

Dipole, Da:

4.15

IP(EA), eV:

 -9.56(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)C(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations