Geometry & MOs

Info

ID:	185104
PubChem CID:	77255652
Reduced:	ClSN3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	508.387623
ΔH_f, kcal/mol:	83.91
Dipole, Da:	2.3
IP(EA), eV:	-9.07(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[11-[[2-[4-butoxy-3-(hydroxymethyl)phenyl]-2-hydroxyethyl]amino]undecyl]carbamate

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=C(S2)Cl)C3=CC=NC=C3

DOS

IR

Vibrations