Geometry & MOs

Info

ID:	83723
PubChem CID:	49860645
Reduced:	ClSN4O4C26H39 (1)
Stoich.:	ABC4D4E26F39 (1)
Weight, g/mol:	436.1765
ΔH_f, kcal/mol:	-183.47
Dipole, Da:	9.29
IP(EA), eV:	-8.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxy-N,N-dimethylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

CCCC(CCC)CN1CCC(CC1)S(=O)(=O)CCCOC2=CC3=CC4=C(NC(=O)N4)N=C3C=C2.Cl

DOS

IR

Vibrations