Geometry & MOs

Info

ID:	128853
PubChem CID:	51060582
Reduced:	BrN3O3H20C26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	489.189986
ΔH_f, kcal/mol:	19.39
Dipole, Da:	4.47
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[(E)-[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations