Geometry & MOs

Info

ID:	429341
PubChem CID:	135169315
Reduced:	SO5N11C26H39 (1)
Stoich.:	AB5C11D26E39 (1)
Weight, g/mol:	224.08373
ΔH_f, kcal/mol:	-165.92
Dipole, Da:	4.78
IP(EA), eV:	-9.1(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3E)-penta-1,3-dienyl]furo[2,3-f][1]benzofuran

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)CCCCN=C(N)N

DOS

IR

Vibrations