Geometry & MOs

Info

ID:	31904
PubChem CID:	3723201
Reduced:	ClNO4H28C32 (1)
Stoich.:	ABC4D28E32 (1)
Weight, g/mol:	549.0091
ΔH_f, kcal/mol:	-65.88
Dipole, Da:	6.4
IP(EA), eV:	-8.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C1C(C2(C3N1C4=C(C=C3)C=C(C=C4)Cl)C(=O)C5=CC=CC=C5C2=O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations