Geometry & MOs

Info

ID:

16194

PubChem CID:

461200

Reduced:

N4O7C47H58 (1)

Stoich.:

A4B7C47D58 (1)

Weight, g/mol:

790.43055

ΔHf, kcal/mol:

-256.12

Dipole, Da:

4.02

IP(EA), eV:

 -9.03(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S)-oxolan-3-yl] N-[(2S,3S)-4-[(2S)-2-benzyl-4-[(2S)-4-[(2S)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@]1(C(=O)C(=CN1)[C@H](CC2=CC=CC=C2)C(=O)NC(C)(C)C)C3=CN[C@@](C3=O)(CC4=CC=CC=C4)C[C@@H]([C@H](CC5=CC=CC=C5)NC(=O)O[C@H]6CCOC6)O

DOS

IR

Vibrations