Geometry & MOs

Info

ID:	418511
PubChem CID:	135105385
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	38.84
Dipole, Da:	4.42
IP(EA), eV:	-9.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylpyridin-3-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1N=C(N=N1)C2=CC=C(C=C2)C(=O)N3CCC4(CC3)C5=C(CCO4)C=CS5

DOS

IR

Vibrations