Geometry & MOs

Info

ID:	230086
PubChem CID:	87570098
Reduced:	O5C10H18 (1)
Stoich.:	A5B10C18 (1)
Weight, g/mol:	479.358342
ΔH_f, kcal/mol:	-163.49
Dipole, Da:	2.6
IP(EA), eV:	-9.69(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9R,10R,13S,14S)-10,13-dimethyl-15,16-dimethylidene-3-tri(propan-2-yl)silyloxy-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(C)(C)OOC(C=C)OC(=O)O

DOS

IR

Vibrations