Geometry & MOs

Info

ID:	58391
PubChem CID:	24698174
Reduced:	NOH7C10 (1)
Stoich.:	ABC7D10 (1)
Weight, g/mol:	280.03402
ΔH_f, kcal/mol:	75.35
Dipole, Da:	3.09
IP(EA), eV:	-9.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methyl-2-(5-methylthiophen-2-yl)-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C#CCOC1=CC=CC(=C1)C#N

DOS

IR

Vibrations