Geometry & MOs

Info

ID:

224818

PubChem CID:

85403370

Reduced:

NVO4C23H41 (1)

Stoich.:

ABC4D23E41 (1)

Weight, g/mol:

850.502393

ΔHf, kcal/mol:

-271.08

Dipole, Da:

6.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.972246

Charge, e:

 0

Chem-info

IUPAC name:

[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6,6-trimethylcyclohexa-1,4-dien-1-yl]-[7-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,7-trimethyl-8-phenylmethoxy-1,3-dioxaspiro[4.5]dec-9-en-6-yl]methanol

Drug info:

PubChemData

Smile

CC(C)C(CO)NC=C1C=C(C=C(C1=O)C(C)(C)C)C(C)(C)C.CC(C)O.O=[V]

DOS

IR

Vibrations