Geometry & MOs

Info

ID:	233175
PubChem CID:	87692808
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	398.211804
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	5.59
IP(EA), eV:	-8.77(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)ethyl]-5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OS(=O)(=O)CCC2=CC3=C(C=C2)NC=C3

DOS

IR

Vibrations