Geometry & MOs

Info

ID:	224797
PubChem CID:	85355354
Reduced:	NSO7C23H25 (1)
Stoich.:	ABC7D23E25 (1)
Weight, g/mol:	459.150429
ΔH_f, kcal/mol:	-241.15
Dipole, Da:	5.67
IP(EA), eV:	-9.84(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(5-benzyl-2-sulfanylidene-1,3-dioxolan-4-yl)-3-phenylmethoxyazetidin-2-one

Drug info:

PubChemData

Smile

CCCC(=CS(=O)(=O)C1=CC=C(C=C1)C)N(C=O)C2=C(C=C(C=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations