Geometry & MOs

Info

ID:	138413
PubChem CID:	52363055
Reduced:	N3C19H19 (1)
Stoich.:	A3B19C19 (1)
Weight, g/mol:	401.090864
ΔH_f, kcal/mol:	90.81
Dipole, Da:	0.37
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methylphenyl)methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1NCC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations