Geometry & MOs

Info

ID:	342492
PubChem CID:	127265647
Reduced:	SO2N3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	344.06532
ΔH_f, kcal/mol:	32.13
Dipole, Da:	4.42
IP(EA), eV:	-9.03(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methoxy-3-methylsulfanylphenyl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=CC1=COC(=N1)C2=CC=CC=C2)C3=NC4=C(C=CS4)C(=O)N3

DOS

IR

Vibrations