Geometry & MOs

Info

ID:	45697
PubChem CID:	10516610
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	277.004494
ΔH_f, kcal/mol:	-125.34
Dipole, Da:	2.83
IP(EA), eV:	-9.47(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)sulfinylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(C)(C)[C@]1(CC2=CC=CC=C21)O)OC(=O)C

DOS

IR

Vibrations