Geometry & MOs

Info

ID:	245638
PubChem CID:	99455715
Reduced:	F2N3O3C22H31 (1)
Stoich.:	A2B3C3D22E31 (1)
Weight, g/mol:	419.17012
ΔH_f, kcal/mol:	-228.74
Dipole, Da:	6.76
IP(EA), eV:	-9.23(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations