Geometry & MOs

Info

ID:

169021

PubChem CID:

75054986

Reduced:

ClN2O3C22H29 (1)

Stoich.:

AB2C3D22E29 (1)

Weight, g/mol:

629.319997

ΔHf, kcal/mol:

-92.28

Dipole, Da:

2.02

IP(EA), eV:

 -8.55(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-[3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-4-phenylbutanamide

Drug info:

PubChemData

Smile

CC=C1C[N+]2(CCC34C2(CCC1C3(CO)C(=O)OC)NC5=CC=CC=C45)C.[Cl-]

DOS

IR

Vibrations