Geometry & MOs

Info

ID:	190250
PubChem CID:	77977222
Reduced:	NSC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	446.266839
ΔH_f, kcal/mol:	36.07
Dipole, Da:	3.76
IP(EA), eV:	-8.38(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-hydroxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S)C2CCCN2CC3=CC=CC=C3

DOS

IR

Vibrations