Geometry & MOs

Info

ID:	270698
PubChem CID:	103637728
Reduced:	FSN3O3C12H16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	363.01538
ΔH_f, kcal/mol:	-93.32
Dipole, Da:	6.25
IP(EA), eV:	-8.88(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3-methyl-N-(3-methylsulfanylbutyl)benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(C(=CC(=C1)F)[N+](=O)[O-])N)SC

DOS

IR

Vibrations