Geometry & MOs

Info

ID:	437961
PubChem CID:	135227414
Reduced:	O5H24C30 (1)
Stoich.:	A5B24C30 (1)
Weight, g/mol:	190.081622
ΔH_f, kcal/mol:	-104.19
Dipole, Da:	1.28
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylhexa-1,3,5-triene

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C2=C(C=CC(=C2)C3=CC=C(C=C3)O)O)C4=C(C=CC(=C4)C5=CC=C(C=C5)O)O

DOS

IR

Vibrations