Geometry & MOs

Info

ID:	418269
PubChem CID:	135104032
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-58.06
Dipole, Da:	2.08
IP(EA), eV:	-8.83(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NC=CN=C1)CC(=O)NC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations