Geometry & MOs

Info

ID:	281610
PubChem CID:	103914116
Reduced:	NSO4C10H21 (1)
Stoich.:	ABC4D10E21 (1)
Weight, g/mol:	239.119129
ΔH_f, kcal/mol:	-197.61
Dipole, Da:	3.14
IP(EA), eV:	-9.36(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-(1-methylsulfonylpropan-2-ylamino)butan-1-ol

Drug info:

PubChemData

Smile

COCC(CCO)NC1CCCS(=O)(=O)C1

DOS

IR

Vibrations