Geometry & MOs

Info

ID:	159326
PubChem CID:	57269572
Reduced:	NSO4C27H33 (1)
Stoich.:	ABC4D27E33 (1)
Weight, g/mol:	487.062314
ΔH_f, kcal/mol:	-136.36
Dipole, Da:	1.45
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)methyl (6R,7S)-3-(acetyloxymethyl)-7-butoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)CC(CC2=CC=C(C=C2)CC(=O)OC)(C3=CC=CN3)S(=O)(=O)C

DOS

IR

Vibrations