Geometry & MOs

Info

ID:

304705

PubChem CID:

124766078

Reduced:

SN2O4C20H26 (1)

Stoich.:

AB2C4D20E26 (1)

Weight, g/mol:

549.320271

ΔHf, kcal/mol:

-143.83

Dipole, Da:

1.07

IP(EA), eV:

 -8.58(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R,6R,7R)-2-N,6-N-dicyclohexyl-3-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](N[C@H]2C3=CC=CC=C3C)(CCSC)C(=O)OC

DOS

IR

Vibrations