Geometry & MOs

Info

ID:	137766
PubChem CID:	52259371
Reduced:	FN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	352.052921
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	6.36
IP(EA), eV:	-10.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[2-(2-fluoro-4-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CN2C(=O)[C@@](NC2=O)(C)C3=CC=C(C=C3)F

DOS

IR

Vibrations