Geometry & MOs

Info

ID:	63574
PubChem CID:	26758658
Reduced:	FSN2O4C23H23 (1)
Stoich.:	ABC2D4E23F23 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-159.82
Dipole, Da:	4.84
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(diethylsulfamoyl)-2-methylanilino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)OC(=O)CCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations