Geometry & MOs

Info

ID:	27613
PubChem CID:	822574
Reduced:	ClN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	-113.52
Dipole, Da:	3.22
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(2,5-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C([C@H](NC(=O)N1)C2=CC=CC=C2Cl)C

DOS

IR

Vibrations