Geometry & MOs

Info

ID:	63169
PubChem CID:	26746570
Reduced:	ClSN2O5C14H19 (1)
Stoich.:	ABC2D5E14F19 (1)
Weight, g/mol:	403.116821
ΔH_f, kcal/mol:	-202.56
Dipole, Da:	6.56
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-quinoline-4-carbohydrazide

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H](C)C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)C

DOS

IR

Vibrations