Geometry & MOs

Info

ID:	297845
PubChem CID:	117633749
Reduced:	ClOSN5H18C19 (1)
Stoich.:	ABCD5E18F19 (1)
Weight, g/mol:	271.918959
ΔH_f, kcal/mol:	55.7
Dipole, Da:	8.01
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-7-(trifluoromethyl)thieno[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC3=C(C(=O)N2CC4=CC=CC=C4C#N)SC(=C3)Cl)N

DOS

IR

Vibrations