Geometry & MOs

Info

ID:	56078
PubChem CID:	17404244
Reduced:	ClOSN2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	310.06551
ΔH_f, kcal/mol:	17.05
Dipole, Da:	5.21
IP(EA), eV:	-8.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC2=NC(=CC(=O)N2C=C1)CSCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations