Geometry & MOs

Info

ID:	217970
PubChem CID:	85088672
Reduced:	SO5C23H28 (1)
Stoich.:	AB5C23D28 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-184.4
Dipole, Da:	4.34
IP(EA), eV:	-8.73(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3,9-dimethyl-6-methylidene-2-oxo-3,3a,4,5,6a,7,8,9b-octahydroazuleno[4,5-b]furan-8-yl)-4-methylbenzenesulfonohydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CSC(CCC2=CC=CC=C2)CC(C(=O)OC)C(=O)OC

DOS

IR

Vibrations