Geometry & MOs

Info

ID:

16320

PubChem CID:

464372

Reduced:

N3O9C35H53 (1)

Stoich.:

A3B9C35D53 (1)

Weight, g/mol:

659.37818

ΔHf, kcal/mol:

-401.89

Dipole, Da:

6.85

IP(EA), eV:

 -8.75(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]hexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCOC)NC(=O)[C@H](CC1=C(C(=C(C=C1)OC)OC)OC)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations