Geometry & MOs

Info

ID:

334439

PubChem CID:

127252991

Reduced:

N4O6C35H48 (1)

Stoich.:

A4B6C35D48 (1)

Weight, g/mol:

432.189651

ΔHf, kcal/mol:

-158.66

Dipole, Da:

5.3

IP(EA), eV:

 -8.44(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-[[3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanoyl]amino]-3-methylpentanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C[C@@H]1CCCN2[C@@H]1CCCC2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations