Geometry & MOs

Info

ID:

163486

PubChem CID:

58003825

Reduced:

NSO8C36H47 (1)

Stoich.:

ABC8D36E47 (1)

Weight, g/mol:

574.004578

ΔHf, kcal/mol:

-350.43

Dipole, Da:

8.8

IP(EA), eV:

 -8.71(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(Z)-prop-1-enyl]-5-[5-[5-[5-[5-[5-[(Z)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H]3C[C@@H](CC(=O)O3)OC(=O)CCC(=O)OC4=CC=C(C=C4)C(=S)N)C

DOS

IR

Vibrations