Geometry & MOs

Info

ID:	133201
PubChem CID:	51492221
Reduced:	FSO2N4C20H31 (1)
Stoich.:	ABC2D4E20F31 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	-118.69
Dipole, Da:	1.96
IP(EA), eV:	-8.6(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-cyclopentyl-2-phenyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

COCCCN1C(=O)C2CCCCC2N3C1=NN=C3SCC4CCC(CC4)F

DOS

IR

Vibrations