Geometry & MOs

Info

ID:

16099

PubChem CID:

459882

Reduced:

N2O4C23H29 (2)

Stoich.:

A2B4C23D29 (2)

Weight, g/mol:

794.425465

ΔHf, kcal/mol:

-311.52

Dipole, Da:

0.64

IP(EA), eV:

 -8.79(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S,3R,4R,5S)-5-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3,4-dihydroxy-1,6-bis(4-phenylmethoxyphenyl)hexan-2-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)[C@H]([C@@H]([C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)[C@H](C(C)C)NC(=O)C)O)O)NC(=O)C

DOS

IR

Vibrations