Geometry & MOs

Info

ID:	41990
PubChem CID:	8148067
Reduced:	ClOS2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	346.213067
ΔH_f, kcal/mol:	38.29
Dipole, Da:	4.9
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(4-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)N(C)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations