Geometry & MOs

Info

ID:	322492
PubChem CID:	126670265
Reduced:	N3O5C25H37 (1)
Stoich.:	A3B5C25D37 (1)
Weight, g/mol:	318.101585
ΔH_f, kcal/mol:	-123.83
Dipole, Da:	3.19
IP(EA), eV:	-9.37(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-hydroxymethylidene]-2-hydroxy-1-methylpyrrolidin-3-one

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CCN5C=CC=N5)OC)C

DOS

IR

Vibrations