Geometry & MOs

Info

ID:	173234
PubChem CID:	75611621
Reduced:	Br2N3O9H27C34 (1)
Stoich.:	A2B3C9D27E34 (1)
Weight, g/mol:	555.99325
ΔH_f, kcal/mol:	-170.47
Dipole, Da:	8.73
IP(EA), eV:	-8.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-N,N'-bis[(2-bromophenyl)methylideneamino]propanediamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2Br)Br)C=NNC(=O)C(=CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations