Geometry & MOs

Info

ID:

16148

PubChem CID:

460207

Reduced:

N5O7C44H55 (1)

Stoich.:

A5B7C44D55 (1)

Weight, g/mol:

765.410149

ΔHf, kcal/mol:

-242.39

Dipole, Da:

10.06

IP(EA), eV:

 -9.06(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3)O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations