Geometry & MOs

Info

ID:	89916
PubChem CID:	49965352
Reduced:	S2O3N6H20C25 (1)
Stoich.:	A2B3C6D20E25 (1)
Weight, g/mol:	342.034414
ΔH_f, kcal/mol:	72.38
Dipole, Da:	12.18
IP(EA), eV:	-8.8(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[(3-carbamoyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])CC6=CC=CC=C6

DOS

IR

Vibrations