Geometry & MOs

Info

ID:	418229
PubChem CID:	135103912
Reduced:	FSN2O2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-73.6
Dipole, Da:	5.52
IP(EA), eV:	-9.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylindol-2-yl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CC(=CN=C3)F)C4=C1SC=C4

DOS

IR

Vibrations