Geometry & MOs

Info

ID:	227060
PubChem CID:	87559995
Reduced:	FSN3O3C28H28 (1)
Stoich.:	ABC3D3E28F28 (1)
Weight, g/mol:	506.191366
ΔH_f, kcal/mol:	-35.19
Dipole, Da:	10.44
IP(EA), eV:	-8.72(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

carboxymethyl-(4-fluorobenzoyl)-[[4-(1H-indol-5-yl)thiophen-2-yl]methyl]-(2-pyrrolidin-1-ylethyl)azanium

Drug info:

PubChemData

Smile

C1CCN(C1)CC[N+](CC2=CC(=CS2)C3=CC4=C(C=C3)NC=C4)(CC(=O)[O-])C(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations