Geometry & MOs

Info

ID:	262853
PubChem CID:	103323115
Reduced:	ClN4S4H9C11 (1)
Stoich.:	AB4C4D9E11 (1)
Weight, g/mol:	353.981896
ΔH_f, kcal/mol:	115.72
Dipole, Da:	4.34
IP(EA), eV:	-8.91(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(2-chlorophenyl)methylsulfanyl]-6-ethylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)N=C(N=C2SC3=NN=C(S3)SC)Cl

DOS

IR

Vibrations