Geometry & MOs

Info

ID:	218676
PubChem CID:	85089795
Reduced:	SN2O5C27H30 (1)
Stoich.:	AB2C5D27E30 (1)
Weight, g/mol:	494.187543
ΔH_f, kcal/mol:	-180.76
Dipole, Da:	5.4
IP(EA), eV:	-9.03(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-oxo-7-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-3-phenylsulfanyl-1-azabicyclo[4.2.0]octane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)C(N2C(=O)COC3=C2C=C(C=C3)C=C4C(=O)NC(=O)S4)O)C(C)(C)C

DOS

IR

Vibrations