Geometry & MOs

Info

ID:	34514
PubChem CID:	7978607
Reduced:	ClN4O5C19H27 (1)
Stoich.:	AB4C5D19E27 (1)
Weight, g/mol:	426.166998
ΔH_f, kcal/mol:	-215.8
Dipole, Da:	3.64
IP(EA), eV:	-9.42(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-6-[(1-butyl-5-chloro-3-methylpyrazole-4-carbonyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=C([C@@H](NC(=O)N2)CC)C(=O)OCC)Cl

DOS

IR

Vibrations