Geometry & MOs

Info

ID:	271987
PubChem CID:	103708503
Reduced:	BrOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	360.99973
ΔH_f, kcal/mol:	-16.21
Dipole, Da:	3.85
IP(EA), eV:	-8.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-(3-methylsulfanylcyclopentyl)benzamide

Drug info:

PubChemData

Smile

CSC1CCC(C1)NC(=O)C2=CC(=CN=C2)Br

DOS

IR

Vibrations