Geometry & MOs

Info

ID:	385562
PubChem CID:	134979412
Reduced:	NO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	344.090472
ΔH_f, kcal/mol:	-167.72
Dipole, Da:	3.89
IP(EA), eV:	-9.52(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-1-(benzenesulfonyl)-3-methylhexa-2,5-dien-2-yl]sulfanylbenzene

Drug info:

PubChemData

Smile

CCC(=O)C/C=C/C(C)CN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations