Geometry & MOs

Info

ID:	281465
PubChem CID:	103913912
Reduced:	NSO3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	255.096286
ΔH_f, kcal/mol:	-122.2
Dipole, Da:	3.84
IP(EA), eV:	-9.32(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-methylsulfonylpropan-2-ylamino)ethylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NCC1=CC(=CC=C1)CO

DOS

IR

Vibrations