Geometry & MOs

Info

ID:	201170
PubChem CID:	79500045
Reduced:	ClN3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	327.995237
ΔH_f, kcal/mol:	52.52
Dipole, Da:	2.94
IP(EA), eV:	-8.77(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioyl-2-methylpyrazol-3-yl)-2,4-dichlorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=NCC2(C)C3=CC(=CC=C3)Cl)N

DOS

IR

Vibrations