Geometry & MOs

Info

ID:	23513
PubChem CID:	604330
Reduced:	NSC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	308.138091
ΔH_f, kcal/mol:	8.06
Dipole, Da:	2.64
IP(EA), eV:	-8.55(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butylsulfanyl N-phenylpiperidine-1-carboximidothioate

Drug info:

PubChemData

Smile

CC(C)(C)SSC(=NC1=CC=CC=C1)N2CCCCC2

DOS

IR

Vibrations