Geometry & MOs

Info

ID:	128298
PubChem CID:	51038007
Reduced:	SN2O2H10C11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	502.053625
ΔH_f, kcal/mol:	-48.28
Dipole, Da:	3.27
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[[(6-chloro-1-benzothiophen-2-yl)methylamino]-pyridin-3-ylsulfonylmethyl]pyridin-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)CNC(C3=NC(=CC=C3)NCC(=O)O)S(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations