Geometry & MOs

Info

ID:	286556
PubChem CID:	104171041
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	195.092915
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	4.25
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxypropylsulfonyl)propan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations