Geometry & MOs

Info

ID:	413646
PubChem CID:	135086595
Reduced:	ClO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	296.087101
ΔH_f, kcal/mol:	-104.08
Dipole, Da:	2.32
IP(EA), eV:	-9.51(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)OC(C)(C)C(C)(C)C

DOS

IR

Vibrations