Geometry & MOs

Info

ID:

441112

PubChem CID:

135233149

Reduced:

ClF2O3N6C33H35 (1)

Stoich.:

AB2C3D6E33F35 (1)

Weight, g/mol:

367.199488

ΔHf, kcal/mol:

-104.41

Dipole, Da:

4.69

IP(EA), eV:

 -9.72(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1E,6Z,8Z)-8-hydroxy-1-(methoxycarbonylamino)-5,9,11-trimethyl-10-oxotrideca-1,6,8-trien-6-yl] formate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC=C1)N([C@@H](C(=C)/C=C\C=C/CCl)C(=O)NC2CC(C2)(F)F)C(=O)[C@@H]3CCC(=O)N3C4=NC=CC(=N4)C#N

DOS

IR

Vibrations