Geometry & MOs

Info

ID:	147644
PubChem CID:	53787301
Reduced:	ClSN4O5H13C15 (1)
Stoich.:	ABC4D5E13F15 (1)
Weight, g/mol:	588.03546
ΔH_f, kcal/mol:	-107.38
Dipole, Da:	4.74
IP(EA), eV:	-9.83(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl (6S)-3-(bromomethyl)-7-(1,3-dioxoisoindol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(C(=O)C2=C(S1(=O)=O)C=CC(=C2)OC)C(=O)NC3=CN=CC(=N3)Cl

DOS

IR

Vibrations