Geometry & MOs

Info

ID:	245189
PubChem CID:	99437841
Reduced:	S2F3N3O4C20H20 (1)
Stoich.:	A2B3C3D4E20F20 (1)
Weight, g/mol:	476.073674
ΔH_f, kcal/mol:	-269.96
Dipole, Da:	3.3
IP(EA), eV:	-8.9(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]sulfamoyl]-3-methylthieno[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCSCC2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C(F)(F)F

DOS

IR

Vibrations