Geometry & MOs

Info

ID:	187203
PubChem CID:	77543548
Reduced:	N2O6C16H21 (1)
Stoich.:	A2B6C16D21 (1)
Weight, g/mol:	469.201299
ΔH_f, kcal/mol:	-175.12
Dipole, Da:	4.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754014
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[5-fluoro-4-[4-[(furan-3-ylmethylamino)methyl]phenyl]-5-methoxycyclohexa-1,3-dien-1-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(CCCC(C(=O)[O-])NC(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations