Geometry & MOs

Info

ID:	217553
PubChem CID:	85087994
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	375.135173
ΔH_f, kcal/mol:	42.29
Dipole, Da:	3.18
IP(EA), eV:	-8.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl 2-(3,3-dimethoxy-2-oxo-4-sulfanylazetidin-1-yl)-3-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCCCC1=CN(C=CC1=CS(=O)(=O)C2=CC=CC=C2)C(C#N)C#N

DOS

IR

Vibrations