Geometry & MOs

Info

ID:	195640
PubChem CID:	78714415
Reduced:	NSO3H19C22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	363.207253
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	5.52
IP(EA), eV:	-9.35(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-ethoxyphenyl)methyl-methyl-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)COC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations