Geometry & MOs

Info

ID:	421879
PubChem CID:	135116764
Reduced:	S2N4O5C11H20 (1)
Stoich.:	A2B4C5D11E20 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-165.16
Dipole, Da:	8.82
IP(EA), eV:	-9.46(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations