Geometry & MOs

Info

ID:	188313
PubChem CID:	77697757
Reduced:	N2F3O4C19H19 (1)
Stoich.:	A2B3C4D19E19 (1)
Weight, g/mol:	491.208116
ΔH_f, kcal/mol:	-269.26
Dipole, Da:	7.12
IP(EA), eV:	-9.35(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[5-fluoro-1-[[6-(methylamino)purin-9-yl]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1C=CCC(C(=O)N2C1CC(=O)CC2C(=O)O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations