Geometry & MOs

Info

ID:	383538
PubChem CID:	134975323
Reduced:	SiO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	326.0896
ΔH_f, kcal/mol:	-118.09
Dipole, Da:	3.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.142293
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[(4E,6E)-2-methyl-7-phenylhepta-2,4,6-trien-3-yl]sulfanylbenzene

Drug info:

PubChemData

Smile

C[Si](C)(C)OC1=C(C=[O+]C2=CC=CC=C21)C=O

DOS

IR

Vibrations