Geometry & MOs

Info

ID:	183614
PubChem CID:	77045348
Reduced:	S2N3O3C10H11 (1)
Stoich.:	A2B3C3D10E11 (1)
Weight, g/mol:	334.04292
ΔH_f, kcal/mol:	-35.11
Dipole, Da:	3.4
IP(EA), eV:	-9.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=NC=CS1)NS(=O)(=O)C2C=CC(=O)N=C2

DOS

IR

Vibrations