Geometry & MOs

Info

ID:

17006

PubChem CID:

481993

Reduced:

N6O7C41H54 (1)

Stoich.:

A6B7C41D54 (1)

Weight, g/mol:

742.405398

ΔHf, kcal/mol:

-267.26

Dipole, Da:

7.87

IP(EA), eV:

 -8.88(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-3,3-dimethyl-2-(quinoxalin-2-ylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)OCC3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations