Geometry & MOs

Info

ID:	320581
PubChem CID:	126661923
Reduced:	SN2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	353.153955
ΔH_f, kcal/mol:	80.58
Dipole, Da:	3.47
IP(EA), eV:	-8.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[4-[(4-fluorophenyl)methyl-prop-2-ynylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

C/C=C(/C=S)\N=C(C)C1=CC=C(C(C1)C=NC)C

DOS

IR

Vibrations