Geometry & MOs

Info

ID:

145103

PubChem CID:

53461922

Reduced:

N4O9C41H58 (1)

Stoich.:

A4B9C41D58 (1)

Weight, g/mol:

382.214409

ΔHf, kcal/mol:

-345.63

Dipole, Da:

10.56

IP(EA), eV:

 -8.7(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17-acetyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.CNCC(C1=CC(=C(C=C1)O)O)O.CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations