Geometry & MOs

Info

ID:	26750
PubChem CID:	798125
Reduced:	NOCl2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	338.011447
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	5.71
IP(EA), eV:	-8.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations