Geometry & MOs

Info

ID:	193934
PubChem CID:	78458262
Reduced:	SN3O6C18H19 (1)
Stoich.:	AB3C6D18E19 (1)
Weight, g/mol:	353.083413
ΔH_f, kcal/mol:	-185.79
Dipole, Da:	3.09
IP(EA), eV:	-8.43(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(4-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=NC(=O)N=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C

DOS

IR

Vibrations