Geometry & MOs

Info

ID:

16276

PubChem CID:

463295

Reduced:

N2O4C20H27 (2)

Stoich.:

A2B4C20D27 (2)

Weight, g/mol:

718.394165

ΔHf, kcal/mol:

-326.87

Dipole, Da:

3.88

IP(EA), eV:

 -8.78(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-1-[4-[3-(1,3-benzoxazol-2-yl)propoxy]phenyl]-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=C(C=C2)OCCCC3=NC4=CC=CC=C4O3)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations