Geometry & MOs

Info

ID:	426778
PubChem CID:	135153839
Reduced:	SCl2N3H7C11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	283.039103
ΔH_f, kcal/mol:	75.55
Dipole, Da:	2.9
IP(EA), eV:	-8.94(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carbothioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations