Geometry & MOs

Info

ID:	39224
PubChem CID:	8139943
Reduced:	ClSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	341.222903
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	1.22
IP(EA), eV:	-9.22(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[4-(4-methylphenoxy)butanoylamino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations