Geometry & MOs

Info

ID:	687
PubChem CID:	3196
Reduced:	SO5C20H28 (1)
Stoich.:	AB5C20D28 (1)
Weight, g/mol:	380.165745
ΔH_f, kcal/mol:	-241.85
Dipole, Da:	8.9
IP(EA), eV:	-9.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4a-dimethyl-7-propan-2-yl-6-sulfo-1,3,4,9,10,10a-hexahydrophenanthrene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C2C(=C1)CCC3C2(CCC(C3)(C)C(=O)O)C)S(=O)(=O)O

DOS

IR

Vibrations