Geometry & MOs

Info

ID:

449973

PubChem CID:

135302894

Reduced:

NOC15H20 (2)

Stoich.:

ABC15D20 (2)

Weight, g/mol:

446.293328

ΔHf, kcal/mol:

-53.97

Dipole, Da:

5.6

IP(EA), eV:

 -8.45(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-N-[(1S,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-6-[(1Z)-1-(2-methyl-1H-pyrrol-3-yl)buta-1,3-dienyl]spiro[2.6]nonane-9-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@H]([C@H](C)NC(=O)[C@H]2CCC(CCC23CC3)/C(=C/C=C)/C4=C(NC=C4)C)O)C

DOS

IR

Vibrations