Geometry & MOs

Info

ID:	217807
PubChem CID:	85088419
Reduced:	NSO5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	401.169221
ΔH_f, kcal/mol:	-142.18
Dipole, Da:	4.77
IP(EA), eV:	-8.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-methyl-5,5,8-trioxo-7-triethylsilyl-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)S(=O)C1=CC=CC=C1C2=CC=CC=C2NC(=CC(=O)OC)C(=O)OC

DOS

IR

Vibrations