Geometry & MOs

Info

ID:

16995

PubChem CID:

481828

Reduced:

N4O7C44H56 (1)

Stoich.:

A4B7C44D56 (1)

Weight, g/mol:

752.4149

ΔHf, kcal/mol:

-272.25

Dipole, Da:

4.91

IP(EA), eV:

 -9.18(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-[(4-phenylphenyl)methoxycarbonylamino]butanoyl]amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(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=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations