Geometry & MOs

Info

ID:	31582
PubChem CID:	855900
Reduced:	ClN4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	115.85
Dipole, Da:	6.49
IP(EA), eV:	-9.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(=NN=N2)C3=CC=CC=C3

DOS

IR

Vibrations