Geometry & MOs

Info

ID:	299884
PubChem CID:	117843306
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	2.41
IP(EA), eV:	-8.8(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxybut-3-enyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1CC(=O)NC1)OC2=CC(=CC3=C2SC=N3)C4=CC(=C(C=C4)N5CCNCC5)OC

DOS

IR

Vibrations