Geometry & MOs

Info

ID:	417264
PubChem CID:	135091879
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	292.135782
ΔH_f, kcal/mol:	-159.93
Dipole, Da:	4.35
IP(EA), eV:	-9.3(0.77)
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-2-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC[C@]2(C1)CCC[C@H]2O

DOS

IR

Vibrations