Geometry & MOs

Info

ID:	406400
PubChem CID:	135077510
Reduced:	SiO3C20H34 (1)
Stoich.:	AB3C20D34 (1)
Weight, g/mol:	414.095952
ΔH_f, kcal/mol:	-158.66
Dipole, Da:	2.07
IP(EA), eV:	-8.94(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-(benzenesulfonyl)-1-cyclopropylhept-1-en-6-yn-4-yl]sulfonylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CCCCCC1(CCCC#C)C(=O)OC

DOS

IR

Vibrations