Geometry & MOs

Info

ID:	151444
PubChem CID:	53801300
Reduced:	NSO3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	400.03929
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	1.64
IP(EA), eV:	-7.82(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-5-(2,4-dichloro-6-fluorophenoxy)-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C3=C(N2C)C=C(C=C3)OC)C(=O)S)C(C=C1)OC

DOS

IR

Vibrations