Geometry & MOs

Info

ID:

170507

PubChem CID:

75243466

Reduced:

NO14C40H55 (1)

Stoich.:

AB14C40D55 (1)

Weight, g/mol:

513.247936

ΔHf, kcal/mol:

-620.2

Dipole, Da:

5.25

IP(EA), eV:

 -8.74(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-(difluoromethylidene)-13-methyl-11-(4-pyridin-3-ylphenyl)spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one

Drug info:

PubChemData

Smile

CC1C(CC(C(O1)OC2C(CCCC2OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)O)O)NC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O)O)O

DOS

IR

Vibrations