Geometry & MOs

Info

ID:	203568
PubChem CID:	79846616
Reduced:	NO4C10H17 (1)
Stoich.:	AB4C10D17 (1)
Weight, g/mol:	353.015843
ΔH_f, kcal/mol:	-191.29
Dipole, Da:	3.95
IP(EA), eV:	-10.26(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CCOCC(=O)NC1(CCC1)CC(=O)O

DOS

IR

Vibrations