Geometry & MOs

Info

ID:

176756

PubChem CID:

76094565

Reduced:

S4N7O7H19C21 (1)

Stoich.:

A4B7C7D19E21 (1)

Weight, g/mol:

574.369196

ΔHf, kcal/mol:

-75.17

Dipole, Da:

3.86

IP(EA), eV:

 -8.53(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyloxy-17-ethyl-3-(3-hydroxy-3-propylhexyl)sulfanyl-10,13-dimethyl-1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl] acetate

Drug info:

PubChemData

Smile

COC1=C(SC=C1)C2=NN=C(O2)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC)C5=CSC(=N5)N)SC3)C(=O)O

DOS

IR

Vibrations