Geometry & MOs

Info

ID:	179552
PubChem CID:	76496588
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-54.14
Dipole, Da:	1.44
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CC1CS(=O)(=O)CCN2CCNCC2C(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations