Geometry & MOs

Info

ID:	244104
PubChem CID:	99313667
Reduced:	FO2N5H20C26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	355.115462
ΔH_f, kcal/mol:	12.85
Dipole, Da:	3.97
IP(EA), eV:	-8.75(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-2-phenylsulfanylpropanamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations