Geometry & MOs

Info

ID:	56199
PubChem CID:	17422519
Reduced:	SO2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	349.995048
ΔH_f, kcal/mol:	25.36
Dipole, Da:	5.27
IP(EA), eV:	-8.73(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl-3-methylthieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCSC2=NN=C3N2C4=CC=CC=C4C(=O)N3C

DOS

IR

Vibrations