Geometry & MOs

Info

ID:	379689
PubChem CID:	134457376
Reduced:	SN5O5C21H27 (1)
Stoich.:	AB5C5D21E27 (1)
Weight, g/mol:	420.159769
ΔH_f, kcal/mol:	-154.7
Dipole, Da:	7.47
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C(C=C2)N[C@@H]3CCN(C3)S(=O)(=O)C)NC(=O)[C@H]4CCC(=O)N4

DOS

IR

Vibrations