Geometry & MOs

Info

ID:	384124
PubChem CID:	134976382
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	325.11365
ΔH_f, kcal/mol:	-107.9
Dipole, Da:	2.31
IP(EA), eV:	-9.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(S)-(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfinamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C1)C(C)C)C=C

DOS

IR

Vibrations