Geometry & MOs

Info

ID:	302797
PubChem CID:	124395937
Reduced:	BrClFNOH14C22 (1)
Stoich.:	ABCDEF14G22 (1)
Weight, g/mol:	482.099312
ΔH_f, kcal/mol:	25.5
Dipole, Da:	5.55
IP(EA), eV:	-9.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[3-chloro-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)/C=C(/C#N)\C3=CC=CC=C3F)Br)Cl

DOS

IR

Vibrations