Geometry & MOs

Info

ID:

159546

PubChem CID:

57288439

Reduced:

ClF2S2N5O6H26C33 (1)

Stoich.:

AB2C2D5E6F26G33 (1)

Weight, g/mol:

458.188195

ΔHf, kcal/mol:

-135.06

Dipole, Da:

8.99

IP(EA), eV:

 -9.16(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(2-phenylethenyl)-4-[[7-(2-phenylethenyl)-2,3-dihydro-1-benzofuran-4-yl]oxy]-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1=O)C(C2=O)NC(=O)C(=NOC(F)F)C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O)CCl

DOS

IR

Vibrations