Geometry & MOs

Info

ID:	423967
PubChem CID:	135120894
Reduced:	SN3O5C13H19 (1)
Stoich.:	AB3C5D13E19 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-178.61
Dipole, Da:	5.94
IP(EA), eV:	-9.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=C(C=CC=N2)O

DOS

IR

Vibrations