Geometry & MOs

Info

ID:	78089
PubChem CID:	49681653
Reduced:	S2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	499.123563
ΔH_f, kcal/mol:	-7.41
Dipole, Da:	8.09
IP(EA), eV:	-8.91(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)S2)CC#C

DOS

IR

Vibrations