Geometry & MOs

Info

ID:	31731
PubChem CID:	3288065
Reduced:	SCl2N3O3H13C16 (1)
Stoich.:	AB2C3D3E13F16 (1)
Weight, g/mol:	303.1293
ΔH_f, kcal/mol:	-40.18
Dipole, Da:	6.79
IP(EA), eV:	-8.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C=NC(=C3Cl)Cl

DOS

IR

Vibrations