Geometry & MOs

Info

ID:	262849
PubChem CID:	103322883
Reduced:	ClN3S3H8C14 (1)
Stoich.:	AB3C3D8E14 (1)
Weight, g/mol:	299.936487
ΔH_f, kcal/mol:	110.91
Dipole, Da:	6.03
IP(EA), eV:	-9.06(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)N=C(N=C2SC3=NC4=CC=CC=C4S3)Cl

DOS

IR

Vibrations