Geometry & MOs

Info

ID:	140474
PubChem CID:	52704803
Reduced:	ClF3N3O3C20H21 (1)
Stoich.:	AB3C3D3E20F21 (1)
Weight, g/mol:	444.192818
ΔH_f, kcal/mol:	-267.79
Dipole, Da:	4.54
IP(EA), eV:	-9.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=C(C=C1)NCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl

DOS

IR

Vibrations