Geometry & MOs

Info

ID:	149720
PubChem CID:	53789395
Reduced:	SO3C21H28 (1)
Stoich.:	AB3C21D28 (1)
Weight, g/mol:	388.224974
ΔH_f, kcal/mol:	-121.67
Dipole, Da:	4.19
IP(EA), eV:	-8.59(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,10R,13S,14S,16R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13,16-tetramethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1C(C(CS1)C=CC(CC2=CC=CC=C2)O)CC=CCCCC(=O)O

DOS

IR

Vibrations