Geometry & MOs

Info

ID:	400081
PubChem CID:	135045161
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	334.98408
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	2.63
IP(EA), eV:	-8.85(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[(2-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CC(=O)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations