Geometry & MOs

Info

ID:	196896
PubChem CID:	78892431
Reduced:	ClSN2O2C18H19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	431.09158
ΔH_f, kcal/mol:	-61.47
Dipole, Da:	6.91
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)SC

DOS

IR

Vibrations