Geometry & MOs

Info

ID:

84540

PubChem CID:

49867440

Reduced:

ClNO4C9H10 (1)

Stoich.:

ABC4D9E10 (1)

Weight, g/mol:

748.615832

ΔHf, kcal/mol:

-161.64

Dipole, Da:

4.77

IP(EA), eV:

 -9.41(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3-dimethyl-5-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@H]([C@@H](C(=O)O)N)O)Cl)O

DOS

IR

Vibrations