Geometry & MOs

Info

ID:

219723

PubChem CID:

85164682

Reduced:

N5O9C27H35 (1)

Stoich.:

A5B9C27D35 (1)

Weight, g/mol:

573.281441

ΔHf, kcal/mol:

-290.94

Dipole, Da:

3.98

IP(EA), eV:

 -9.5(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[[1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]pyrrolidine-2-carbonyl]amino]methyl]cyclohexyl]azanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C1C2C3CCN(CC3=C(N2C1=O)C(=O)OCC=C)C(=O)CCN=C(NC(=O)OCC=C)NC(=O)OCC=C)O

DOS

IR

Vibrations