Geometry & MOs

Info

ID:

226033

PubChem CID:

87246650

Reduced:

NO8C18H21 (1)

Stoich.:

AB8C18D21 (1)

Weight, g/mol:

912.14077

ΔHf, kcal/mol:

-318.74

Dipole, Da:

5.43

IP(EA), eV:

 -9.64(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-butyloctyl 2-(5-bromothiophen-2-yl)-5-[5-(5-bromothiophen-2-yl)-4-(2-butyloctoxycarbonyl)thiophen-2-yl]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]([C@H]([C@@](C)([C@@H](CO)O)O)O)C(=O)C1=CC2=C(C=C1)C=CC(=O)O2

DOS

IR

Vibrations