Geometry & MOs

Info

ID:	395935
PubChem CID:	135026988
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	-127.5
Dipole, Da:	4.65
IP(EA), eV:	-9.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[amino-(propan-2-ylamino)methyl]-5H-[1]benzothiolo[2,3-c]quinolin-6-one

Drug info:

PubChemData

Smile

COC(=O)CC[C@]12C=CC(=O)C3=CC=C[C@H]([C@H]31)CO2

DOS

IR

Vibrations