Geometry & MOs

Info

ID:

16145

PubChem CID:

460200

Reduced:

N5O6C44H55 (1)

Stoich.:

A5B6C44D55 (1)

Weight, g/mol:

749.415235

ΔHf, kcal/mol:

-203.27

Dipole, Da:

9.31

IP(EA), eV:

 -9.42(-0.3)

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-5-oxo-1-phenyl-4-(2-phenylethylamino)pentan-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)NCCC4=CC=CC=C4

DOS

IR

Vibrations