Geometry & MOs

Info

ID:	418562
PubChem CID:	135105779
Reduced:	SN3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	-151.61
Dipole, Da:	4.92
IP(EA), eV:	-9.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations