Geometry & MOs

Info

ID:	436035
PubChem CID:	135193452
Reduced:	FON5C25H32 (1)
Stoich.:	ABC5D25E32 (1)
Weight, g/mol:	466.237567
ΔH_f, kcal/mol:	2.52
Dipole, Da:	5.08
IP(EA), eV:	-8.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2,3,3-trimethyl-5-[2-[3-(2-methylpropanoylamino)propylamino]-2-oxoethyl]indol-1-ium-1-yl]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCC1(CC(C1)N2C=C(N=C2C3CC3)C4=CC5=C(C=CN5CCF)N=C4)N6CCOCC6

DOS

IR

Vibrations