Geometry & MOs

Info

ID:	376571
PubChem CID:	134222591
Reduced:	NSC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	2.17
IP(EA), eV:	-9.0(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(ethylamino)-3-hydroxy-N-[(3-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2C(C1)N=CS2

DOS

IR

Vibrations