Geometry & MOs

Info

ID:	148090
PubChem CID:	53787752
Reduced:	PCl2O2C11H19 (1)
Stoich.:	AB2C2D11E19 (1)
Weight, g/mol:	524.92456
ΔH_f, kcal/mol:	-159.92
Dipole, Da:	4.45
IP(EA), eV:	-10.93(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-dibromo-4-[[5-(2-hydroxyacetyl)-2-oxo-1H-indol-3-ylidene]methyl]phenyl]ethyl hydrogen carbonate

Drug info:

PubChemData

Smile

CCCCCCCCP(=O)(C=CC(=O)Cl)Cl

DOS

IR

Vibrations