Geometry & MOs

Info

ID:	61838
PubChem CID:	26713842
Reduced:	FN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	-150.0
Dipole, Da:	4.8
IP(EA), eV:	-9.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-oxo-4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]butyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CNC(=O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations