Geometry & MOs

Info

ID:	230981
PubChem CID:	87572371
Reduced:	OSF3N5H12C14 (1)
Stoich.:	ABC3D5E12F14 (1)
Weight, g/mol:	506.1687
ΔH_f, kcal/mol:	-107.8
Dipole, Da:	14.87
IP(EA), eV:	-9.0(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[(2-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]phenyl]methylamino]propanamide;methanesulfonic acid

Drug info:

PubChemData

Smile

CN(C)C1=CN2C=C(N=C2C=C1)C(=O)NC3=NC(=CS3)C(F)(F)F

DOS

IR

Vibrations