Geometry & MOs

Info

ID:	128828
PubChem CID:	51060159
Reduced:	BrN2O5H17C22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	426.121572
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	8.6
IP(EA), eV:	-9.11(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=C(C=C(C=C3)O)O

DOS

IR

Vibrations