Geometry & MOs

Info

ID:	160413
PubChem CID:	57309761
Reduced:	ClNSSiO3C9H16 (1)
Stoich.:	ABCDE3F9G16 (1)
Weight, g/mol:	475.025929
ΔH_f, kcal/mol:	-157.45
Dipole, Da:	4.34
IP(EA), eV:	-9.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC(=O)C(=NOC)C(=C)O[Si](C)(C)Cl

DOS

IR

Vibrations