Geometry & MOs

Info

ID:	10979
PubChem CID:	109603
Reduced:	ClN5O7C24H28 (1)
Stoich.:	AB5C7D24E28 (1)
Weight, g/mol:	533.167726
ΔH_f, kcal/mol:	-175.24
Dipole, Da:	7.76
IP(EA), eV:	-8.54(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-acetamido-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(3-ethoxy-3-oxopropyl)anilino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CCC(=O)OCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C

DOS

IR

Vibrations