Geometry & MOs

Info

ID:	156873
PubChem CID:	56394814
Reduced:	ClFON2C22H24 (1)
Stoich.:	ABCD2E22F24 (1)
Weight, g/mol:	404.111853
ΔH_f, kcal/mol:	-48.22
Dipole, Da:	4.01
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethoxy)-2-methylphenyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)C3(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations