Geometry & MOs

Info

ID:	128877
PubChem CID:	51061856
Reduced:	BrCl2N2O4H19C28 (1)
Stoich.:	AB2C2D4E19F28 (1)
Weight, g/mol:	562.106227
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	3.91
IP(EA), eV:	-9.12(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[(E)-[[4-[(2,4-dichlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations