Geometry & MOs

Info

ID:	34818
PubChem CID:	7978968
Reduced:	SN2F3O4C17H17 (1)
Stoich.:	AB2C3D4E17F17 (1)
Weight, g/mol:	425.188546
ΔH_f, kcal/mol:	-304.84
Dipole, Da:	7.31
IP(EA), eV:	-9.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[benzylcarbamothioyl(methyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@H](CS2)C(=O)OCC(=O)NCC(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations