Geometry & MOs

Info

ID:	382922
PubChem CID:	134974361
Reduced:	O3C19H30 (1)
Stoich.:	A3B19C30 (1)
Weight, g/mol:	409.080636
ΔH_f, kcal/mol:	-126.39
Dipole, Da:	6.03
IP(EA), eV:	-9.07(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2aR,7bS)-3-(benzenesulfinyl)-2a-(benzenesulfonyl)-2,7b-dihydro-1H-cyclobuta[b]indole

Drug info:

PubChemData

Smile

CC1CCC(=O)OC1/C(=C/C(C)C(C(C)/C=C\C=C)OC)/C

DOS

IR

Vibrations