Geometry & MOs

Info

ID:	63987
PubChem CID:	26759629
Reduced:	NF2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-223.6
Dipole, Da:	5.37
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations