Geometry & MOs

Info

ID:	189773
PubChem CID:	77903159
Reduced:	ClNO10C28H32 (1)
Stoich.:	ABC10D28E32 (1)
Weight, g/mol:	340.088164
ΔH_f, kcal/mol:	-403.62
Dipole, Da:	6.46
IP(EA), eV:	-8.76(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-N-(3-methylsulfanylphenyl)-2-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC)O.Cl

DOS

IR

Vibrations