Geometry & MOs

Info

ID:	420582
PubChem CID:	135114083
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	317.131031
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	4.31
IP(EA), eV:	-9.13(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(6-amino-2-methylsulfanylpyrimidin-4-yl)-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=COC=C3

DOS

IR

Vibrations