Geometry & MOs

Info

ID:	413581
PubChem CID:	135086530
Reduced:	NO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	386.112922
ΔH_f, kcal/mol:	-158.42
Dipole, Da:	3.69
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylethynyl)-2-[2-(2-phenylethynylsulfanyl)phenyl]benzene

Drug info:

PubChemData

Smile

CC(=O)NC(=C(C(=O)OC)OC(=O)C)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations