Geometry & MOs

Info

ID:	43180
PubChem CID:	10319171
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	406.191087
ΔH_f, kcal/mol:	-19.84
Dipole, Da:	4.9
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,10R,13S,17R)-17-acetyl-6-chloro-3-hydroxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC(C)N(C1CCCCC1)C(=O)C2=C(C=C(C=C2)CN3C=NC4=C3C=CC=N4)OC

DOS

IR

Vibrations