Geometry & MOs

Info

ID:

16117

PubChem CID:

459985

Reduced:

N5O7C38H53 (1)

Stoich.:

A5B7C38D53 (1)

Weight, g/mol:

691.394499

ΔHf, kcal/mol:

-254.4

Dipole, Da:

6.49

IP(EA), eV:

 -8.84(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=C(C=C(C=C1)OC)O)NC(=O)[C@@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)C)N)O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations