Geometry & MOs

Info

ID:	70774
PubChem CID:	48413851
Reduced:	FO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	362.071658
ΔH_f, kcal/mol:	-78.81
Dipole, Da:	3.6
IP(EA), eV:	-9.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations