Geometry & MOs

Info

ID:	175619
PubChem CID:	75928361
Reduced:	O5N6C20H22 (1)
Stoich.:	A5B6C20D22 (1)
Weight, g/mol:	441.095869
ΔH_f, kcal/mol:	-100.12
Dipole, Da:	3.2
IP(EA), eV:	-8.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-5-oxo-N-[4-(thiophene-2-carbonylamino)phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OCCCN2C=NC3=C(N=CN=C32)N)OCC(=O)N

DOS

IR

Vibrations