Geometry & MOs

Info

ID:	415139
PubChem CID:	135088125
Reduced:	FSN3O4C15H18 (1)
Stoich.:	ABC3D4E15F18 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-155.58
Dipole, Da:	8.15
IP(EA), eV:	-9.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-(3-methyl-4-morpholin-4-ylphenyl)methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=CC(=C2)C#N)F

DOS

IR

Vibrations