Geometry & MOs

Info

ID:	262850
PubChem CID:	103322977
Reduced:	ClS3N4H5C9 (1)
Stoich.:	AB3C4D5E9 (1)
Weight, g/mol:	336.015783
ΔH_f, kcal/mol:	119.03
Dipole, Da:	4.71
IP(EA), eV:	-9.35(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-ethyl-4-(2-methoxyphenyl)sulfanylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SC2=NC(=NC3=C2C=CS3)Cl

DOS

IR

Vibrations