Geometry & MOs

Info

ID:

307465

PubChem CID:

125307053

Reduced:

ON2H10C13 (1)

Stoich.:

AB2C10D13 (1)

Weight, g/mol:

477.299142

ΔHf, kcal/mol:

72.68

Dipole, Da:

5.14

IP(EA), eV:

-9.16(-0.99)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[(E)-[(8R,9R,10S,13R,14R,17R)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1C(=CN=N1)OC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations