Geometry & MOs

Info

ID:	50029
PubChem CID:	11538904
Reduced:	ClFON4C22H24 (1)
Stoich.:	ABCD4E22F24 (1)
Weight, g/mol:	414.091725
ΔH_f, kcal/mol:	-28.95
Dipole, Da:	4.52
IP(EA), eV:	-8.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[3-[4-(pyrrolidine-1-carboximidoyl)phenyl]-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(C2=CC=CC=C2)OC3=CC=C(C=C3)F)C4=NC=CC=N4.Cl

DOS

IR

Vibrations