Geometry & MOs

Info

ID:	301921
PubChem CID:	123100675
Reduced:	FNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	321.067094
ΔH_f, kcal/mol:	-77.12
Dipole, Da:	2.59
IP(EA), eV:	-9.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(benzylamino)-2-oxoethyl]sulfinylmethyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)CS(=O)CC2=CC(=CC=C2)F

DOS

IR

Vibrations