Geometry & MOs

Info

ID:	224338
PubChem CID:	85341825
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	344.087101
ΔH_f, kcal/mol:	-145.16
Dipole, Da:	8.13
IP(EA), eV:	-9.48(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzenesulfonyl)-3-phenylbut-3-en-1-ynyl]benzene

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1C=CC(=O)OC)N(CC2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations