Geometry & MOs

Info

ID:	139229
PubChem CID:	52494635
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	426.185138
ΔH_f, kcal/mol:	29.55
Dipole, Da:	3.02
IP(EA), eV:	-8.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[(1R)-1-(4-sulfamoylphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)CSC3=CC=C(C=C3)OC

DOS

IR

Vibrations