Geometry & MOs

Info

ID:

449985

PubChem CID:

135302978

Reduced:

FO2N5C22H24 (1)

Stoich.:

AB2C5D22E24 (1)

Weight, g/mol:

447.288577

ΔHf, kcal/mol:

-47.02

Dipole, Da:

6.37

IP(EA), eV:

 -8.73(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-N-[(2R)-2-(4,5-dimethylpyridin-2-yl)-2-hydroxyethyl]-6-[(1Z)-1-(2-methyl-1H-pyrrol-3-yl)buta-1,3-dienyl]spiro[2.6]nonane-9-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2([C@H]1C(=O)N[C@@H](CO)C3=CC=C(C=C3)F)CC2)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations