Geometry & MOs

Info

ID:	43024
PubChem CID:	10317827
Reduced:	ClFON5H15C19 (1)
Stoich.:	ABCD5E15F19 (1)
Weight, g/mol:	383.08526
ΔH_f, kcal/mol:	-5.91
Dipole, Da:	1.86
IP(EA), eV:	-8.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[amino-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]amino]cyclohexane-1-sulfonamide;hydrochloride

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4F)Cl)NC1=O

DOS

IR

Vibrations