Geometry & MOs

Info

ID:	273343
PubChem CID:	103770934
Reduced:	ClN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	4.25
IP(EA), eV:	-10.26(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-])O

DOS

IR

Vibrations