Geometry & MOs

Info

ID:	401940
PubChem CID:	135053441
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	311.175953
ΔH_f, kcal/mol:	-120.3
Dipole, Da:	3.42
IP(EA), eV:	-9.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-3-ethoxy-2-(naphthalen-2-ylamino)-3-oxopropanenitrilium

Drug info:

PubChemData

Smile

CCC(=O)[C@@H]1CN(C[C@H]1C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations