Geometry & MOs

Info

ID:	343971
PubChem CID:	127267147
Reduced:	FNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	320.94328
ΔH_f, kcal/mol:	-217.5
Dipole, Da:	2.58
IP(EA), eV:	-9.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-5-iodo-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

COCC1(CC1)S(=O)(=O)NC2=C(C(=CC=C2)F)C(=O)OC

DOS

IR

Vibrations