Geometry & MOs

Info

ID:

394210

PubChem CID:

135022536

Reduced:

N2O8C21H27 (1)

Stoich.:

A2B8C21D27 (1)

Weight, g/mol:

412.152203

ΔHf, kcal/mol:

-256.24

Dipole, Da:

2.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.867337

Charge, e:

 0

Chem-info

IUPAC name:

(14S)-9-methoxy-4,14-diphenyl-3,5,8,11,15-pentaoxatricyclo[8.5.0.02,7]pentadecan-12-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1[C@@H]2C(COC(O2)C3=CC=CC=C3)O[C@H](C1O/C(=C/[N+]#N)/O)OC

DOS

IR

Vibrations