Geometry & MOs

Info

ID:	33074
PubChem CID:	7850768
Reduced:	NSO6C21H29 (1)
Stoich.:	ABC6D21E29 (1)
Weight, g/mol:	402.179087
ΔH_f, kcal/mol:	-239.01
Dipole, Da:	7.96
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-6-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2

DOS

IR

Vibrations