Geometry & MOs

Info

ID:	163330
PubChem CID:	57762465
Reduced:	SF3O3N4H25C28 (1)
Stoich.:	AB3C3D4E25F28 (1)
Weight, g/mol:	379.06033
ΔH_f, kcal/mol:	-147.06
Dipole, Da:	7.47
IP(EA), eV:	-9.44(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2,6-dimethyl-N-(5-phenylpent-4-yn-2-yl)benzamide;yttrium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=NC1C2=CC=C(C=C2)C#N)SCC3=C(ON=C3C)C)C4=CC=CC(=C4)C(F)(F)F)C

DOS

IR

Vibrations