Geometry & MOs

Info

ID:	376843
PubChem CID:	134222872
Reduced:	Cl2N2O2H12C15 (1)
Stoich.:	A2B2C2D12E15 (1)
Weight, g/mol:	394.028726
ΔH_f, kcal/mol:	-39.69
Dipole, Da:	2.92
IP(EA), eV:	-8.84(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(aziridin-1-yl)-3-fluorophenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one

Drug info:

PubChemData

Smile

C1C(C2=C(C=CC(=C2N1)Cl)Cl)(CC(=O)C3=CN=CC=C3)O

DOS

IR

Vibrations