Geometry & MOs

Info

ID:	62495
PubChem CID:	26719801
Reduced:	FSN2O2H19C21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	350.091414
ΔH_f, kcal/mol:	-53.12
Dipole, Da:	6.83
IP(EA), eV:	-8.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-3,4,5-trimethoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(S2)C(=O)NC3=CC(=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations