Geometry & MOs

Info

ID:

219479

PubChem CID:

85148739

Reduced:

SN2O6H22C28 (1)

Stoich.:

AB2C6D22E28 (1)

Weight, g/mol:

514.242749

ΔHf, kcal/mol:

-86.03

Dipole, Da:

7.53

IP(EA), eV:

 -8.1(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetyl-7-benzamido-N-(2-ethoxy-5-oxooxolan-3-yl)-6-oxo-3,4,7,8,9,10,11,11a-octahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C3=CC4=C5C=C(C(=CC5=NC(=O)C4C=C32)OC)OC)S(=O)(=O)C6=CC=CC=C6

DOS

IR

Vibrations