Geometry & MOs

Info

ID:	418124
PubChem CID:	135103622
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	7.51
IP(EA), eV:	-9.13(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-(3-methylpyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)S(=O)(=O)C

DOS

IR

Vibrations