Geometry & MOs

Info

ID:

304671

PubChem CID:

124766039

Reduced:

N3O4C30H31 (1)

Stoich.:

A3B4C30D31 (1)

Weight, g/mol:

527.242021

ΔHf, kcal/mol:

-79.92

Dipole, Da:

3.31

IP(EA), eV:

 -8.32(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

DOS

IR

Vibrations