Geometry & MOs

Info

ID:	206608
PubChem CID:	80272593
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	268.104563
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	6.74
IP(EA), eV:	-8.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N(C)CC(C)C#N)N

DOS

IR

Vibrations