Geometry & MOs

Info

ID:	1922
PubChem CID:	5354
Reduced:	NOSC20H35 (1)
Stoich.:	ABCD20E35 (1)
Weight, g/mol:	337.243936
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	5.14
IP(EA), eV:	-8.65(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)O

DOS

IR

Vibrations