Geometry & MOs

Info

ID:	297846
PubChem CID:	117633760
Reduced:	HSCl2N2F3C7 (1)
Stoich.:	ABC2D2E3F7 (1)
Weight, g/mol:	334.968688
ΔH_f, kcal/mol:	-100.88
Dipole, Da:	4.41
IP(EA), eV:	-9.84(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,7-dichloro-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=C(C2=C(S1)C(=NC(=N2)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations