Geometry & MOs

Info

ID:	89909
PubChem CID:	49965332
Reduced:	S2O3N4H22C24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	433.040228
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	4.99
IP(EA), eV:	-8.27(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(S3)N=C(C=C4)C5=CC=NC=C5)N

DOS

IR

Vibrations