Geometry & MOs

Info

ID:	130264
PubChem CID:	51075435
Reduced:	OCl2N4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	30.22
Dipole, Da:	2.4
IP(EA), eV:	-9.23(-1.01)
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-(6-methylpyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)C(=O)NC3=C(C(=CC=C3)Cl)Cl)C

DOS

IR

Vibrations