Geometry & MOs

Info

ID:	379685
PubChem CID:	134456639
Reduced:	ClSO2N5C23H24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	553.179518
ΔH_f, kcal/mol:	0.08
Dipole, Da:	3.41
IP(EA), eV:	-8.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1,1-dioxothian-4-yl)benzimidazol-2-yl]-1-(5-fluoro-6-methoxypyridin-3-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=C(C(=CC=C2)NC3=CC(=NC4=C3N=C(N4C5CCCCO5)C)Cl)OC

DOS

IR

Vibrations