Geometry & MOs

Info

ID:	128857
PubChem CID:	51060676
Reduced:	ClN3O5H18C23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	598.27701
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	2.63
IP(EA), eV:	-8.93(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations