Geometry & MOs

Info

ID:	36932
PubChem CID:	8015040
Reduced:	O4C11H12 (2)
Stoich.:	A4B11C12 (2)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	-289.17
Dipole, Da:	3.43
IP(EA), eV:	-8.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-ethyl-6-[(4-ethylbenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCCC(=O)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations