Geometry & MOs

Info

ID:	163558
PubChem CID:	58034563
Reduced:	BrON5H26C29 (1)
Stoich.:	ABC5D26E29 (1)
Weight, g/mol:	579.096391
ΔH_f, kcal/mol:	123.6
Dipole, Da:	4.76
IP(EA), eV:	-9.07(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-3,4-dimethoxybenzoyl)amino]-5-[5-(4-chloro-N-methylanilino)pyridine-2-carbonyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NN2C(=C1Br)N=CC3=CC(=C(N=C32)C4=CC=C(C=C4)C5(CC(C5)(C6CC6)O)N)C7=CC=CC=C7

DOS

IR

Vibrations