Geometry & MOs

Info

ID:	173231
PubChem CID:	75611618
Reduced:	IBr2N2O4H11C14 (1)
Stoich.:	AB2C2D4E11F14 (1)
Weight, g/mol:	509.056
ΔH_f, kcal/mol:	-59.55
Dipole, Da:	3.13
IP(EA), eV:	-9.22(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-iodoanilino)-N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)OCC(=O)NN=CC2=CC=C(O2)I)Br

DOS

IR

Vibrations