Geometry & MOs

Info

ID:	382898
PubChem CID:	134974329
Reduced:	FC27H47 (1)
Stoich.:	AB27C47 (1)
Weight, g/mol:	390.240624
ΔH_f, kcal/mol:	-154.46
Dipole, Da:	2.26
IP(EA), eV:	-10.07(3.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,10S,13S)-5,10-dihydroxy-5',5',13-trimethylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxane]-17-one

Drug info:

PubChemData

Smile

CCCCCCCC[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@H](C4)F)C)C

DOS

IR

Vibrations