Geometry & MOs

Info

ID:

305221

PubChem CID:

124767618

Reduced:

NO3C17H19 (1)

Stoich.:

AB3C17D19 (1)

Weight, g/mol:

402.25588

ΔHf, kcal/mol:

-95.33

Dipole, Da:

7.07

IP(EA), eV:

 -8.99(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,5S,8S,9R,10S,13S,14R)-10,13-dimethyl-17-(2-phenylethynyl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]2C(=O)O)C=C3

DOS

IR

Vibrations