Geometry & MOs

Info

ID:	43518
PubChem CID:	10321414
Reduced:	ClSF2N3O5H16C17 (1)
Stoich.:	ABC2D3E5F16G17 (1)
Weight, g/mol:	447.098584
ΔH_f, kcal/mol:	-192.8
Dipole, Da:	7.38
IP(EA), eV:	-9.23(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-[(2-chlorophenyl)methoxy]-6-methylquinoline-4-carbonyl]amino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN([C@@H](CN1)C(=O)NO)S(=O)(=O)C2=CC(=C(C(=C2)F)OC3=CC=C(C=C3)Cl)F

DOS

IR

Vibrations