Geometry & MOs

Info

ID:	170274
PubChem CID:	75214656
Reduced:	NO8C24H31 (1)
Stoich.:	AB8C24D31 (1)
Weight, g/mol:	324.167163
ΔH_f, kcal/mol:	-244.25
Dipole, Da:	1.7
IP(EA), eV:	-9.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-N-(7-fluoro-8-sulfanyloct-6-enyl)benzamide

Drug info:

PubChemData

Smile

CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2OC(=O)CNCCO)O7)COC6=O)C

DOS

IR

Vibrations