Geometry & MOs

Info

ID:	322707
PubChem CID:	126670861
Reduced:	O2F4N6C19H26 (1)
Stoich.:	A2B4C6D19E26 (1)
Weight, g/mol:	386.119734
ΔH_f, kcal/mol:	-217.64
Dipole, Da:	2.56
IP(EA), eV:	-8.9(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,5R)-N-[3-(5-acetyl-2-chlorophenyl)-2-fluorophenyl]-2-azabicyclo[3.2.0]heptane-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C(=C)N(CC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=NN(C=C2C)CC(F)(F)F)F)NC

DOS

IR

Vibrations