Geometry & MOs

Info

ID:

159747

PubChem CID:

57288698

Reduced:

OS2N5C17H17 (1)

Stoich.:

AB2C5D17E17 (1)

Weight, g/mol:

402.349781

ΔHf, kcal/mol:

68.72

Dipole, Da:

9.4

IP(EA), eV:

 -8.25(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC3=C(C=CC=C3S2)CCCNC4=NS(=O)N=C4N

DOS

IR

Vibrations