Geometry & MOs

Info

ID:	49636
PubChem CID:	11533426
Reduced:	SN3O3F6H13C21 (1)
Stoich.:	AB3C3D6E13F21 (1)
Weight, g/mol:	501.077676
ΔH_f, kcal/mol:	-310.94
Dipole, Da:	6.34
IP(EA), eV:	-9.07(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyano-2-methyl-6-[3-[[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NS(=O)(=O)C3=CC(=C(C=C3)F)C(F)(F)F)C(=O)NN2CC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations