Geometry & MOs

Info

ID:	328793
PubChem CID:	126727824
Reduced:	N5O10C26H29 (1)
Stoich.:	A5B10C26D29 (1)
Weight, g/mol:	339.202071
ΔH_f, kcal/mol:	-333.06
Dipole, Da:	8.77
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-ethenyl-6-ethyl-3-ethynyl-2-[(3E,5Z)-octa-1,3,5-trien-3-yl]sulfanylocta-2,5-dien-4-imine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN(N=N2)CCCNC(=O)C3=C(C=CC(=C3)COC(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

DOS

IR

Vibrations