Geometry & MOs

Info

ID:

161005

PubChem CID:

57390488

Reduced:

ClN2H15C17 (1)

Stoich.:

AB2C15D17 (1)

Weight, g/mol:

574.195131

ΔHf, kcal/mol:

46.76

Dipole, Da:

7.32

IP(EA), eV:

 -8.28(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(5R,5aR,8aR)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=CN(C4=CC=CC=C4C3=N2)C.Cl

DOS

IR

Vibrations