Geometry & MOs

Info

ID:	179234
PubChem CID:	76454055
Reduced:	OH9C10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	411.207944
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	1.16
IP(EA), eV:	-8.71(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,2-dimethylpropanoyl)-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-4-yl] 2-ethylhexanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC2CCC3C=CC4=C3C=CC=C4O)C(=C1)O

DOS

IR

Vibrations