Geometry & MOs

Info

ID:	139149
PubChem CID:	52483019
Reduced:	OSN4C18H30 (1)
Stoich.:	ABC4D18E30 (1)
Weight, g/mol:	458.143764
ΔH_f, kcal/mol:	-36.91
Dipole, Da:	4.4
IP(EA), eV:	-8.56(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-6-[[2-(dimethylamino)-5-nitrobenzoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2CCCCC2N3C1=NN=C3SCCCC

DOS

IR

Vibrations