Geometry & MOs

Info

ID:	63988
PubChem CID:	26759630
Reduced:	SN3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	398.08672
ΔH_f, kcal/mol:	-104.57
Dipole, Da:	3.93
IP(EA), eV:	-9.23(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C

DOS

IR

Vibrations