Geometry & MOs

Info

ID:	219236
PubChem CID:	85096667
Reduced:	SN2O4C27H30 (1)
Stoich.:	AB2C4D27E30 (1)
Weight, g/mol:	470.375995
ΔH_f, kcal/mol:	-143.27
Dipole, Da:	4.17
IP(EA), eV:	-8.54(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,10,13,14-tetramethyl-17-(6-methylheptan-2-yl)-4-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

C1CC2C(CC1C(=O)NCC3=CC4=C(C=C3)SCC4)C(=O)C(CN2)CC5=CC=C(C=C5)C(=O)O

DOS

IR

Vibrations