Geometry & MOs

Info

ID:	123040
PubChem CID:	50831076
Reduced:	N5O5C25H37 (1)
Stoich.:	A5B5C25D37 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-201.6
Dipole, Da:	8.33
IP(EA), eV:	-9.11(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC2=C(C1)C(=NN2C)C(=O)N3CCC(CC3)C(=O)N4CCC5(CC4)OCCO5

DOS

IR

Vibrations