Geometry & MOs

Info

ID:

334819

PubChem CID:

127253494

Reduced:

N5O6C39H49 (1)

Stoich.:

A5B6C39D49 (1)

Weight, g/mol:

500.252252

ΔHf, kcal/mol:

-34.5

Dipole, Da:

8.98

IP(EA), eV:

 -8.26(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCC1=NC2=CC=CC=C2N1C(C)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations