Geometry & MOs

Info

ID:	308610
PubChem CID:	126497144
Reduced:	SN3H27C42 (1)
Stoich.:	AB3C27D42 (1)
Weight, g/mol:	204.097272
ΔH_f, kcal/mol:	248.3
Dipole, Da:	3.78
IP(EA), eV:	-7.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\1/C2=C(C(=NC=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C93)S/C1=C/C#C

DOS

IR

Vibrations