Geometry & MOs

Info

ID:	426777
PubChem CID:	135153836
Reduced:	ClSN3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	282.973774
ΔH_f, kcal/mol:	81.22
Dipole, Da:	2.83
IP(EA), eV:	-8.98(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichlorophenyl)pyrimidine-4-carbothioamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=S)C2=NC=NC=C2)Cl

DOS

IR

Vibrations