Geometry & MOs

Info

ID:

393359

PubChem CID:

135020289

Reduced:

N8C31H48 (1)

Stoich.:

A8B31C48 (1)

Weight, g/mol:

518.248851

ΔHf, kcal/mol:

77.62

Dipole, Da:

9.09

IP(EA), eV:

 -9.1(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,6aS,12aS,12bS)-4-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)-3,4,6,6a,12a,12b-hexahydro-2H-naphtho[2,3-h]chromene-7,12-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC2(CC1)C3CC(CCC3(NC(=C(N2)C#N)C#N)C4=NN=NN4C5CCCCC5)C(C)(C)C

DOS

IR

Vibrations