Geometry & MOs

Info

ID:	322187
PubChem CID:	126669175
Reduced:	S2N3O3C15H17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	321.266779
ΔH_f, kcal/mol:	-66.05
Dipole, Da:	8.09
IP(EA), eV:	-9.16(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(octylamino)-1-(4-propan-2-yloxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations