Geometry & MOs

Info

ID:	7333
PubChem CID:	72176
Reduced:	NSO2C20H35 (1)
Stoich.:	ABC2D20E35 (1)
Weight, g/mol:	353.238851
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	4.06
IP(EA), eV:	-8.48(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(octylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCCCCCCCNCC(COC1=CC=C(C=C1)SC(C)C)O

DOS

IR

Vibrations