Geometry & MOs

Info

ID:	286563
PubChem CID:	104171059
Reduced:	ClNSO3C10H14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	193.11365
ΔH_f, kcal/mol:	-116.99
Dipole, Da:	6.98
IP(EA), eV:	-8.81(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxypropylsulfinyl)-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C1=C(C=CC(=C1)N)Cl)OC

DOS

IR

Vibrations