Geometry & MOs

Info

ID:	227433
PubChem CID:	87561747
Reduced:	ClN3O3C11H16 (1)
Stoich.:	AB3C3D11E16 (1)
Weight, g/mol:	324.984338
ΔH_f, kcal/mol:	-127.63
Dipole, Da:	4.05
IP(EA), eV:	-10.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichloropyridin-3-yl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

C1CC2COC1CNC(=O)/C=C(\N=C2)/C(=O)N.Cl

DOS

IR

Vibrations