Geometry & MOs

Info

ID:	123028
PubChem CID:	50830957
Reduced:	ClSN3O3C24H28 (1)
Stoich.:	ABC3D3E24F28 (1)
Weight, g/mol:	411.134969
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	4.85
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cyclopropylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations