Geometry & MOs

Info

ID:	148270
PubChem CID:	53787932
Reduced:	ClNSO2C13H22 (1)
Stoich.:	ABCD2E13F22 (1)
Weight, g/mol:	412.14905
ΔH_f, kcal/mol:	-109.6
Dipole, Da:	3.96
IP(EA), eV:	-9.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-sulfamoyl-1,3-benzothiazol-5-yl) dodecanoate

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)C=CSC(=O)CCl

DOS

IR

Vibrations