Geometry & MOs

Info

ID:	281611
PubChem CID:	103914117
Reduced:	NSO4C9H21 (1)
Stoich.:	ABC4D9E21 (1)
Weight, g/mol:	253.134779
ΔH_f, kcal/mol:	-198.84
Dipole, Da:	7.45
IP(EA), eV:	-9.63(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethylsulfonylpropan-2-ylamino)-4-methoxybutan-1-ol

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)NC(CCO)COC

DOS

IR

Vibrations