Geometry & MOs

Info

ID:	400037
PubChem CID:	135044712
Reduced:	NOI2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	197.05105
ΔH_f, kcal/mol:	4.77
Dipole, Da:	4.08
IP(EA), eV:	-8.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(methylsulfonimidoyl)phenyl]ethanone

Drug info:

PubChemData

Smile

C1CC2=C(C(=C(C=C2I)I)O)NC1

DOS

IR

Vibrations