Geometry & MOs

Info

ID:	306037
PubChem CID:	125000803
Reduced:	FSO2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	416.247521
ΔH_f, kcal/mol:	-74.18
Dipole, Da:	4.15
IP(EA), eV:	-9.52(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1S,5R,6S,8R,10S)-10-acetamido-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-5-yl]ethyl]-2-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@]1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=CC=NN3

DOS

IR

Vibrations