Geometry & MOs

Info

ID:	418639
PubChem CID:	135106489
Reduced:	ClS2N3O3C14H18 (1)
Stoich.:	AB2C3D3E14F18 (1)
Weight, g/mol:	293.131031
ΔH_f, kcal/mol:	-86.27
Dipole, Da:	6.37
IP(EA), eV:	-8.75(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=NC3=C(S2)C=C(C=C3)Cl

DOS

IR

Vibrations