Geometry & MOs

Info

ID:	217210
PubChem CID:	85087429
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	342.128966
ΔH_f, kcal/mol:	-102.91
Dipole, Da:	3.32
IP(EA), eV:	-9.58(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(benzenesulfonyl)-4a-methyl-1-methylidene-8,9,10,10a-tetrahydro-7H-benzo[8]annulen-2-one

Drug info:

PubChemData

Smile

CC1(C2CCC1(C3C2N=C(O3)CNC(=O)OCC4=CC=CC=C4)C)C

DOS

IR

Vibrations