Geometry & MOs

Info

ID:	148942
PubChem CID:	53788612
Reduced:	BrClON5C22H27 (1)
Stoich.:	ABCD5E22F27 (1)
Weight, g/mol:	488.158351
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	4.0
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[1-hydroxy-3-[3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]prop-2-ynyl]-2-methoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=NC(=C(N3C1=O)Br)CN4CCN(CC4)C5CCCCC5Cl

DOS

IR

Vibrations