Geometry & MOs

Info

ID:	416645
PubChem CID:	135089952
Reduced:	FNO4C24H30 (1)
Stoich.:	ABC4D24E30 (1)
Weight, g/mol:	292.135782
ΔH_f, kcal/mol:	-195.79
Dipole, Da:	2.53
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N(CCC2=CC=C(C=C2)F)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations