Geometry & MOs

Info

ID:	303463
PubChem CID:	124489765
Reduced:	NS2O3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-109.5
Dipole, Da:	4.45
IP(EA), eV:	-9.37(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-5-[(1S)-1-hydroxy-2-[2-(4-methoxyphenyl)propan-2-ylamino]ethyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C2=C(S1(=O)=O)SC=C2)NC(=O)C

DOS

IR

Vibrations