Geometry & MOs

Info

ID:	53664
PubChem CID:	14717702
Reduced:	NSO4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-117.64
Dipole, Da:	3.56
IP(EA), eV:	-9.34(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC2=CC(=CN=C2C(=C1)O)S(=O)(=O)O

DOS

IR

Vibrations