Geometry & MOs

Info

ID:	282217
PubChem CID:	103919004
Reduced:	FNSO2C15H22 (1)
Stoich.:	ABCD2E15F22 (1)
Weight, g/mol:	321.101034
ΔH_f, kcal/mol:	-141.29
Dipole, Da:	3.29
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-hydroxyhexyl)-2-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)F)SCCC(=O)NCCCCCCO

DOS

IR

Vibrations