Geometry & MOs

Info

ID:	68577
PubChem CID:	46508686
Reduced:	NS2O5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	440.174534
ΔH_f, kcal/mol:	-140.36
Dipole, Da:	4.43
IP(EA), eV:	-9.26(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[2-(2,2,2-trifluoroethylsulfanyl)anilino]propyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN(CC3=CC=CS3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations