Geometry & MOs

Info

ID:	441954
PubChem CID:	135246999
Reduced:	OF3N3H12C20 (1)
Stoich.:	AB3C3D12E20 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-74.59
Dipole, Da:	5.5
IP(EA), eV:	-9.28(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(methyliminomethyl)-6-propan-2-ylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C3=CN=CN=C3OC4=CC=C(C=C4)C(F)(F)F)N=CC=C2

DOS

IR

Vibrations