Geometry & MOs

Info

ID:	39085
PubChem CID:	8139668
Reduced:	ClNSO6C17H20 (1)
Stoich.:	ABCD6E17F20 (1)
Weight, g/mol:	337.152773
ΔH_f, kcal/mol:	-206.7
Dipole, Da:	4.95
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(C2CC2)C(=O)COC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations