Geometry & MOs

Info

ID:	262405
PubChem CID:	103291397
Reduced:	ClNOSC15H22 (1)
Stoich.:	ABCDE15F22 (1)
Weight, g/mol:	319.015781
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	2.05
IP(EA), eV:	-8.8(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1(CCC(C1)SCC2=CC=CC=C2Cl)CO

DOS

IR

Vibrations