Geometry & MOs

Info

ID:	153866
PubChem CID:	56313197
Reduced:	SN2O2H9C11 (2)
Stoich.:	AB2C2D9E11 (2)
Weight, g/mol:	447.140591
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	5.92
IP(EA), eV:	-8.32(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]quinoline-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NNC(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations