Geometry & MOs

Info

ID:	160506
PubChem CID:	57309854
Reduced:	SO4C18H38 (1)
Stoich.:	AB4C18D38 (1)
Weight, g/mol:	498.157306
ΔH_f, kcal/mol:	-250.57
Dipole, Da:	3.37
IP(EA), eV:	-10.12(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-(1-pyridazin-3-ylpropan-2-ylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCC)COCCS(=O)(=O)O

DOS

IR

Vibrations