Geometry & MOs

Info

ID:	284761
PubChem CID:	104069155
Reduced:	NOS2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	14.31
Dipole, Da:	2.93
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[3-(3-hydroxypropyl)phenyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CO)SCC2=NC=CS2

DOS

IR

Vibrations