Geometry & MOs

Info

ID:	219396
PubChem CID:	85148358
Reduced:	ClFSO2N4H16C24 (1)
Stoich.:	ABCD2E4F16G24 (1)
Weight, g/mol:	478.98745
ΔH_f, kcal/mol:	26.16
Dipole, Da:	2.34
IP(EA), eV:	-9.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-1-ethylsulfanyl-4-iodo-3-phenyl-2-thia-6-azabicyclo[3.2.0]hept-3-en-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(C(=O)O2)C(C3=CC=C(C=C3)F)NC4=NN=C(S4)C5=CC=CC=C5Cl

DOS

IR

Vibrations