Geometry & MOs

Info

ID:	191176
PubChem CID:	78115297
Reduced:	SN2O3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	564.392708
ΔH_f, kcal/mol:	-29.61
Dipole, Da:	4.02
IP(EA), eV:	-8.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8a-(imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-13-oxo-2,3,4a,5,6,6a,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

Drug info:

PubChemData

Smile

CC1C(S(=O)C(=C(O1)[O-])[N+]#N)C2=CC=CC=C2

DOS

IR

Vibrations