Geometry & MOs

Info

ID:	156610
PubChem CID:	56371336
Reduced:	N3O5C26H37 (1)
Stoich.:	A3B5C26D37 (1)
Weight, g/mol:	436.191069
ΔH_f, kcal/mol:	-219.99
Dipole, Da:	1.26
IP(EA), eV:	-8.24(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluorophenyl)-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N3CCCCC3CCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations