Geometry & MOs

Info

ID:	430193
PubChem CID:	135170256
Reduced:	F3O3N4C21H31 (1)
Stoich.:	A3B3C4D21E31 (1)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	-290.97
Dipole, Da:	3.94
IP(EA), eV:	-9.15(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,2S,6R,7R)-10-(benzenesulfonyl)-4,10-diazatricyclo[5.2.1.02,6]decane-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N1CCC2(C1)CC(C2)N3CCC(=CC3)[C@@H]4CCCN4C(=O)NCC(F)(F)F

DOS

IR

Vibrations