Geometry & MOs

Info

ID:	327304
PubChem CID:	126689470
Reduced:	F4O4N6H34C35 (1)
Stoich.:	A4B4C6D34E35 (1)
Weight, g/mol:	629.15253
ΔH_f, kcal/mol:	-239.97
Dipole, Da:	4.77
IP(EA), eV:	-9.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methoxy-4-[2-oxo-2-(N-(4-phenoxyanilino)-2-piperidin-1-ylanilino)ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(C4=CC(=CC(=C4)C5CC5CN)C#N)O)F

DOS

IR

Vibrations