Geometry & MOs

Info

ID:	56516
PubChem CID:	17436014
Reduced:	N2S2O3H12C16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	2.85
IP(EA), eV:	-8.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CSC=C4

DOS

IR

Vibrations