Geometry & MOs

Info

ID:	173233
PubChem CID:	75611620
Reduced:	BrOF3N7H19C21 (1)
Stoich.:	ABC3D7E19F21 (1)
Weight, g/mol:	781.00936
ΔH_f, kcal/mol:	-58.94
Dipole, Da:	4.13
IP(EA), eV:	-9.12(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)NN=CC3=CC=C(C=C3)Br)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations