Geometry & MOs

Info

ID:	68711
PubChem CID:	46508957
Reduced:	N2S2O7C22H22 (1)
Stoich.:	A2B2C7D22E22 (1)
Weight, g/mol:	408.027221
ΔH_f, kcal/mol:	-196.22
Dipole, Da:	5.06
IP(EA), eV:	-9.09(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 3-(ethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations