Geometry & MOs

Info

ID:	38655
PubChem CID:	8137351
Reduced:	ClF2N2O3H9C16 (1)
Stoich.:	AB2C2D3E9F16 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	1.45
IP(EA), eV:	-9.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations