Geometry & MOs

Info

ID:

16247

PubChem CID:

462739

Reduced:

N4O7C32H44 (1)

Stoich.:

A4B7C32D44 (1)

Weight, g/mol:

596.321

ΔHf, kcal/mol:

-292.52

Dipole, Da:

4.19

IP(EA), eV:

 -9.25(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (3S)-3-(tert-butylcarbamoyl)-4-[(2R,3S)-2-hydroxy-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenylbutyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)O[C@H]3CCOC3)O)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations