Geometry & MOs

Info

ID:	140764
PubChem CID:	52755748
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	7.5
IP(EA), eV:	-8.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[(3R)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H]1CC(=O)N(C1)C2=CC=C(C=C2)OC3=CC=CC=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations