Geometry & MOs

Info

ID:	281464
PubChem CID:	103913911
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	271.124215
ΔH_f, kcal/mol:	-120.26
Dipole, Da:	5.41
IP(EA), eV:	-9.14(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1-ethylsulfonylpropan-2-ylamino)methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCCC1NCC2=CC(=CC=C2)CO

DOS

IR

Vibrations