Geometry & MOs

Info

ID:	286552
PubChem CID:	104171031
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	179.098
ΔH_f, kcal/mol:	-120.91
Dipole, Da:	3.56
IP(EA), eV:	-8.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxypropylsulfinyl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N)S(=O)(=O)CC(C)OC

DOS

IR

Vibrations