Geometry & MOs

Info

ID:	144746
PubChem CID:	53407088
Reduced:	NC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	338.988755
ΔH_f, kcal/mol:	39.73
Dipole, Da:	2.44
IP(EA), eV:	-7.83(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dichloro-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCC3=C2C=C(C=C3)N

DOS

IR

Vibrations