Geometry & MOs

Info

ID:

407166

PubChem CID:

135079490

Reduced:

SN2O2H18C19 (1)

Stoich.:

AB2C2D18E19 (1)

Weight, g/mol:

2264.35661

ΔHf, kcal/mol:

33.03

Dipole, Da:

6.63

IP(EA), eV:

 -8.45(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-[3-dodecyl-5-(3-dodecyl-5-iodothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CNC3=CC=CC=C32)C#C

DOS

IR

Vibrations