Geometry & MOs

Info

ID:	130805
PubChem CID:	51109651
Reduced:	NSF3O4C14H16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	410.256943
ΔH_f, kcal/mol:	-288.88
Dipole, Da:	5.85
IP(EA), eV:	-9.57(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3-phenyladamantane-1-carbonyl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations