Geometry & MOs

Info

ID:

304655

PubChem CID:

124766023

Reduced:

N2O7C27H30 (1)

Stoich.:

A2B7C27D30 (1)

Weight, g/mol:

527.187878

ΔHf, kcal/mol:

-245.4

Dipole, Da:

8.69

IP(EA), eV:

 -9.04(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R,6R,7R)-2-N-benzyl-3-(2,4-dimethylphenyl)-4-oxo-6-N-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations