Geometry & MOs

Info

ID:	123023
PubChem CID:	50830856
Reduced:	ClSO2N4C24H29 (1)
Stoich.:	ABC2D4E24F29 (1)
Weight, g/mol:	427.190734
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	6.39
IP(EA), eV:	-8.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorobenzoyl)amino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1CCN(CC1)C(=O)C2=CC3=C(N2CC4=CC=C(C=C4)Cl)SC=C3

DOS

IR

Vibrations