Geometry & MOs

Info

ID:

147123

PubChem CID:

53786776

Reduced:

NCl2H21C23 (1)

Stoich.:

AB2C21D23 (1)

Weight, g/mol:

462.37091

ΔHf, kcal/mol:

62.06

Dipole, Da:

2.71

IP(EA), eV:

 -8.95(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,8S,9S,10R,13R,14S,17R)-5-hydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CN(C)CC=C(C1=CC=C(C=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations