Geometry & MOs

Info

ID:	55635
PubChem CID:	17395703
Reduced:	ClFOSN4C13H14 (1)
Stoich.:	ABCDE4F13G14 (1)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	-40.24
Dipole, Da:	5.91
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations