Geometry & MOs

Info

ID:	6184
PubChem CID:	67379
Reduced:	ClO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	306.138658
ΔH_f, kcal/mol:	-115.26
Dipole, Da:	2.15
IP(EA), eV:	-9.06(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,13S,14S,17S)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C(=CC(=C4)O)Cl

DOS

IR

Vibrations