Geometry & MOs

Info

ID:	52994
PubChem CID:	14709366
Reduced:	SI2N4O6C14H14 (1)
Stoich.:	AB2C4D6E14F14 (1)
Weight, g/mol:	209.087435
ΔH_f, kcal/mol:	-209.35
Dipole, Da:	0.9
IP(EA), eV:	-9.93(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-isothiocyanatocyclopentyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=O)N1C2CS(=O)(=O)CC2N3C(=C(C(=O)NC3=O)I)C)I

DOS

IR

Vibrations