Geometry & MOs

Info

ID:	431650
PubChem CID:	135171746
Reduced:	SF3O4N5C28H40 (1)
Stoich.:	AB3C4D5E28F40 (1)
Weight, g/mol:	330.093519
ΔH_f, kcal/mol:	-318.04
Dipole, Da:	6.68
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)OC(C)(C)C)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations