Geometry & MOs

Info

ID:	407310
PubChem CID:	135079777
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	317.072179
ΔH_f, kcal/mol:	24.79
Dipole, Da:	2.02
IP(EA), eV:	-8.96(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(Z)-(4-methylphenyl)sulfonyliminomethyl]benzoate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC#CC2=CC=CC=C2)CC=O

DOS

IR

Vibrations