Geometry & MOs

Info

ID:

146912

PubChem CID:

53771017

Reduced:

SN4O4H18C21 (1)

Stoich.:

AB4C4D18E21 (1)

Weight, g/mol:

484.184566

ΔHf, kcal/mol:

-66.37

Dipole, Da:

8.71

IP(EA), eV:

 -8.95(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-oxo-1-[(1R)-1-prop-2-enoxycarbonyloxyethyl]-5-[2-(pyridine-3-carbonyloxy)ethyl]-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CN=CC=C2)NC(=S)NC3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations