Geometry & MOs

Info

ID:

448696

PubChem CID:

135292839

Reduced:

NO2C39H81 (1)

Stoich.:

AB2C39D81 (1)

Weight, g/mol:

595.201338

ΔHf, kcal/mol:

-256.53

Dipole, Da:

3.62

IP(EA), eV:

 -7.94(2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3Z,4Z)-3-(1,2-dihydroxyprop-2-enylidene)-4-[hydroxy-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]methylidene]-2-oxopyrrolidin-1-yl]-2,2,3,3,4-pentahydroxy-N-methyl-5-oxopentanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCCCCC)N(C)CC(C)(C)CC(C)(C)CCC(C)(C)OCCC(C)(C)OC

DOS

IR

Vibrations