Geometry & MOs

Info

ID:

16147

PubChem CID:

460204

Reduced:

N5O6C48H55 (1)

Stoich.:

A5B6C48D55 (1)

Weight, g/mol:

797.415235

ΔHf, kcal/mol:

-181.61

Dipole, Da:

7.68

IP(EA), eV:

 -8.49(-0.26)

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-(4-phenylanilino)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)NC4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations