Geometry & MOs

Info

ID:	32005
PubChem CID:	3903783
Reduced:	N2Cl3H15C21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	340.105922
ΔH_f, kcal/mol:	77.3
Dipole, Da:	4.96
IP(EA), eV:	-8.56(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-5-[(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)Cl)C)C=C(C#N)C3=CC=CC=C3Cl

DOS

IR

Vibrations