Geometry & MOs

Info

ID:	191224
PubChem CID:	78119955
Reduced:	SO2N6H14C17 (1)
Stoich.:	AB2C6D14E17 (1)
Weight, g/mol:	673.470624
ΔH_f, kcal/mol:	153.25
Dipole, Da:	6.11
IP(EA), eV:	-8.6(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2,2,6a,6b,9,9,12a-heptamethyl-10-(2-morpholin-4-ylacetyl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3NN=C(N3N)SCC4=CC(=CC=C4)[N+](=O)[O-])C=N2

DOS

IR

Vibrations