Geometry & MOs

Info

ID:	137835
PubChem CID:	52270302
Reduced:	SO2N5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	399.188409
ΔH_f, kcal/mol:	28.62
Dipole, Da:	1.94
IP(EA), eV:	-8.85(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(difluoromethoxy)naphthalen-1-yl]methyl-[[3-(propylcarbamoyl)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C1[C@H](OC2=CC=CC=C21)CNC(=O)NC3=NN=C(S3)C4=CC=CC=N4

DOS

IR

Vibrations