Geometry & MOs

Info

ID:	62358
PubChem CID:	26719629
Reduced:	SN4O5H14C16 (1)
Stoich.:	AB4C5D14E16 (1)
Weight, g/mol:	371.078517
ΔH_f, kcal/mol:	-46.08
Dipole, Da:	8.32
IP(EA), eV:	-9.61(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-5-methyl-N-(2-methyl-5-nitrophenyl)-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C(=O)OC(=N2)C3=CC=CS3

DOS

IR

Vibrations