Geometry & MOs

Info

ID:	216836
PubChem CID:	85086860
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	307.087829
ΔH_f, kcal/mol:	9.06
Dipole, Da:	6.58
IP(EA), eV:	-8.87(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethynyl-3-methoxy-1-[2-(4-methylphenyl)sulfonylethyl]azetidin-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CC2C(=O)N=C3C=CC=CC3=N2

DOS

IR

Vibrations