Geometry & MOs

Info

ID:	47422
PubChem CID:	10532523
Reduced:	F2N5O8H31C34 (1)
Stoich.:	A2B5C8D31E34 (1)
Weight, g/mol:	676.146644
ΔH_f, kcal/mol:	-331.83
Dipole, Da:	4.52
IP(EA), eV:	-9.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC=C(C(=O)N2CC(=O)NC(CC3=CC=CC=C3)C(=O)C(C(=O)NCC(=O)O)(F)F)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations