Geometry & MOs

Info

ID:	31906
PubChem CID:	3723211
Reduced:	BrCl2N2O4H15C22 (1)
Stoich.:	AB2C2D4E15F22 (1)
Weight, g/mol:	581.136905
ΔH_f, kcal/mol:	-67.65
Dipole, Da:	5.93
IP(EA), eV:	-9.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations