Geometry & MOs

Info

ID:	419285
PubChem CID:	135107888
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-95.18
Dipole, Da:	7.74
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C3=NC=C(C=C3)CS(=O)(=O)C

DOS

IR

Vibrations