Geometry & MOs

Info

ID:	387334
PubChem CID:	134984971
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	406.075406
ΔH_f, kcal/mol:	-80.58
Dipole, Da:	5.33
IP(EA), eV:	-9.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,4S)-4-[1-(4-chloropyridin-2-yl)ethenyl]-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCC[C@@]2(C=O)C3=CC=CC=C3

DOS

IR

Vibrations