Geometry & MOs

Info

ID:	294640
PubChem CID:	117477465
Reduced:	SN2O5C12H12 (1)
Stoich.:	AB2C5D12E12 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-151.5
Dipole, Da:	8.23
IP(EA), eV:	-9.64(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1O)C2=NNC(=C2)C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations