Geometry & MOs

Info

ID:	280711
PubChem CID:	103850860
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	239.082744
ΔH_f, kcal/mol:	-130.55
Dipole, Da:	1.31
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylsulfonylacetamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CSC2=C1CCCC2

DOS

IR

Vibrations