Geometry & MOs

Info

ID:	421090
PubChem CID:	135115369
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	328.120526
ΔH_f, kcal/mol:	24.1
Dipole, Da:	5.32
IP(EA), eV:	-8.66(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3)C

DOS

IR

Vibrations