Geometry & MOs

Info

ID:	179440
PubChem CID:	76483167
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	516.345089
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	2.99
IP(EA), eV:	-8.15(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-acetyloxy-17-(6-hydroxy-6-methyl-3-oxoheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CCN1CC(CC2C1CC3=C(NC4=CC=CC2=C34)C)C(=O)OC

DOS

IR

Vibrations