Geometry & MOs

Info

ID:	124236
PubChem CID:	50876019
Reduced:	ClSN3H14C19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	276.058693
ΔH_f, kcal/mol:	107.79
Dipole, Da:	10.01
IP(EA), eV:	-8.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=C(C3=C2NC=NC3=S)C4=CC=CC=C4)Cl

DOS

IR

Vibrations