Geometry & MOs

Info

ID:	374237
PubChem CID:	131325711
Reduced:	ClNSO3C10H14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-117.88
Dipole, Da:	5.67
IP(EA), eV:	-9.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-amino-3-hydroxypropyl]naphthalen-1-ol

Drug info:

PubChemData

Smile

C[C@](CO)(C1=C(C=C(C=C1)S(=O)(=O)C)Cl)N

DOS

IR

Vibrations