Geometry & MOs

Info

ID:	200901
PubChem CID:	79460046
Reduced:	NSO2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-96.11
Dipole, Da:	6.1
IP(EA), eV:	-9.11(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine

Drug info:

PubChemData

Smile

COC1=CSC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N

DOS

IR

Vibrations