Geometry & MOs

Info

ID:	22996
PubChem CID:	600744
Reduced:	BrO3C32H51 (1)
Stoich.:	AB3C32D51 (1)
Weight, g/mol:	562.30216
ΔH_f, kcal/mol:	-199.7
Dipole, Da:	6.09
IP(EA), eV:	-8.98(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14-bromo-4,4,6a,6b,8a,11,12,14b-octamethyl-13-oxo-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydropicen-3-yl) acetate

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(C2C1C)C(=O)C(C4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)Br)C)C

DOS

IR

Vibrations