Geometry & MOs

Info

ID:	140837
PubChem CID:	52767973
Reduced:	O2F3N3C18H18 (1)
Stoich.:	A2B3C3D18E18 (1)
Weight, g/mol:	414.057169
ΔH_f, kcal/mol:	-190.67
Dipole, Da:	4.77
IP(EA), eV:	-8.81(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dichlorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1CNC(=O)C2=CC=NC=C2)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations