Geometry & MOs

Info

ID:	36831
PubChem CID:	8013465
Reduced:	Cl2N2O5H12C15 (1)
Stoich.:	A2B2C5D12E15 (1)
Weight, g/mol:	422.168916
ΔH_f, kcal/mol:	-144.7
Dipole, Da:	1.29
IP(EA), eV:	-9.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CC(=O)OCC(=O)NNC(=O)C2=CC=CO2)Cl

DOS

IR

Vibrations