Geometry & MOs

Info

ID:	382661
PubChem CID:	134973943
Reduced:	NO6H19C21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	517.222212
ΔH_f, kcal/mol:	-192.92
Dipole, Da:	3.44
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyloxypentyl 3-[[(1R,2R)-2-(dimethylamino)cyclohexyl]carbamothioylamino]-5-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C1C2OCC(O2)C(N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

DOS

IR

Vibrations