Geometry & MOs

Info

ID:	22755
PubChem CID:	598487
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-56.49
Dipole, Da:	7.86
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-1-phenylethyl) 5-(dimethylamino)naphthalene-1-sulfonate

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC(CN)C3=CC=CC=C3

DOS

IR

Vibrations