Geometry & MOs

Info

ID:	328562
PubChem CID:	126724761
Reduced:	Cl2N2O3H20C21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	419.069114
ΔH_f, kcal/mol:	-85.32
Dipole, Da:	3.64
IP(EA), eV:	-8.61(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[(Z)-but-1-enyl]-4-methoxyphenyl]-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one

Drug info:

PubChemData

Smile

CC/C=C\C1=C(C=CC(=C1)NC)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O

DOS

IR

Vibrations