Geometry & MOs

Info

ID:

124863

PubChem CID:

50900259

Reduced:

N2O7C27H38 (1)

Stoich.:

A2B7C27D38 (1)

Weight, g/mol:

1275.85198

ΔHf, kcal/mol:

-325.3

Dipole, Da:

2.37

IP(EA), eV:

 -8.63(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-cyano-3-[9,9,18,18,21,21-hexahexyl-6,24-bis(N-phenylanilino)-15-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC(=C21)/C=C/C(C)(C)O)C(=O)OC(C)(C)C)C(=O)OC

DOS

IR

Vibrations