Geometry & MOs

Info

ID:	214363
PubChem CID:	84975298
Reduced:	SCl2N2O4H14C15 (1)
Stoich.:	AB2C2D4E14F15 (1)
Weight, g/mol:	320.153621
ΔH_f, kcal/mol:	-151.37
Dipole, Da:	3.89
IP(EA), eV:	-8.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC(=O)OC(C)C(=O)NC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations