Geometry & MOs

Info

ID:	89906
PubChem CID:	49965317
Reduced:	S2F3N3O4H14C18 (1)
Stoich.:	A2B3C3D4E14F18 (1)
Weight, g/mol:	492.023198
ΔH_f, kcal/mol:	-268.4
Dipole, Da:	6.34
IP(EA), eV:	-9.01(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[2-[(3-carbamoyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N)C(F)(F)F

DOS

IR

Vibrations