Geometry & MOs

Info

ID:	195944
PubChem CID:	78752099
Reduced:	NF2O6H17C19 (1)
Stoich.:	AB2C6D17E19 (1)
Weight, g/mol:	336.210959
ΔH_f, kcal/mol:	-300.42
Dipole, Da:	1.64
IP(EA), eV:	-9.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(cyclohexylcarbamothioylamino)-1-(3-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=C(C=C1)OC(F)F)OC(=O)C2=CC=C(C=C2)OCC(=O)N

DOS

IR

Vibrations