Geometry & MOs

Info

ID:	121819
PubChem CID:	50782568
Reduced:	ClFN3O3H23C25 (1)
Stoich.:	ABC3D3E23F25 (1)
Weight, g/mol:	416.185983
ΔH_f, kcal/mol:	-98.86
Dipole, Da:	4.09
IP(EA), eV:	-8.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-methylamino]-2-[(2-fluorobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2F)C3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)O

DOS

IR

Vibrations