Geometry & MOs

Info

ID:	22953
PubChem CID:	600111
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	-86.13
Dipole, Da:	5.06
IP(EA), eV:	-8.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-3-[1-(2-methylanilino)ethylidene]thiane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=C2C(=O)CC(SC2=O)(C)C)C

DOS

IR

Vibrations