Geometry & MOs

Info

ID:	236492
PubChem CID:	92713456
Reduced:	FN2O5C26H29 (1)
Stoich.:	AB2C5D26E29 (1)
Weight, g/mol:	425.21147
ΔH_f, kcal/mol:	-213.14
Dipole, Da:	5.62
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)[C@H](C2=CC(=CC=C2)F)C3=C(C=C(N(C3=O)CC4=CC=CO4)C)O

DOS

IR

Vibrations