Geometry & MOs

Info

ID:	268341
PubChem CID:	103598988
Reduced:	FSN3O3H14C18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	326.106671
ΔH_f, kcal/mol:	-11.01
Dipole, Da:	3.77
IP(EA), eV:	-9.18(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-yl)-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)C=CC3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations