Geometry & MOs

Info

ID:	182549
PubChem CID:	76903787
Reduced:	ClNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	285.114713
ΔH_f, kcal/mol:	-27.97
Dipole, Da:	5.99
IP(EA), eV:	-8.89(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-methyl-6-methylsulfanyl-2-oxo-N-propyl-5H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Cl)C2=CC=CC=C2C=CC(=O)O

DOS

IR

Vibrations