Geometry & MOs

Info

ID:	392836
PubChem CID:	135018142
Reduced:	SeO9C21H26 (1)
Stoich.:	AB9C21D26 (1)
Weight, g/mol:	331.076392
ΔH_f, kcal/mol:	-383.22
Dipole, Da:	3.32
IP(EA), eV:	-8.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-(2-phenylethynyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@H](O1)[Se]CC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations