Geometry & MOs

Info

ID:	128297
PubChem CID:	51038006
Reduced:	SN4O5H20C22 (1)
Stoich.:	AB4C5D20E22 (1)
Weight, g/mol:	468.092597
ΔH_f, kcal/mol:	-77.27
Dipole, Da:	7.26
IP(EA), eV:	-8.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(O2)CNC(C3=NC(=CC=C3)NCC(=O)O)S(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations