Geometry & MOs

Info

ID:	25112
PubChem CID:	618993
Reduced:	SO2N3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	486.37091
ΔH_f, kcal/mol:	60.82
Dipole, Da:	11.02
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 10-hydroxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

C1CSC2=NC(=CN21)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations