Geometry & MOs

Info

ID:	136325
PubChem CID:	52021709
Reduced:	ClSO2N3H18C21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	298.141633
ΔH_f, kcal/mol:	9.96
Dipole, Da:	2.9
IP(EA), eV:	-8.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-3-(1-methyltetrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC4=C(N3C)C=C(C=C4)Cl

DOS

IR

Vibrations