Geometry & MOs

Info

ID:	54407
PubChem CID:	17150794
Reduced:	ClNO2C12H15 (2)
Stoich.:	ABC2D12E15 (2)
Weight, g/mol:	542.219906
ΔH_f, kcal/mol:	-151.1
Dipole, Da:	3.56
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-oxo-N-[4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1OC(CC)C(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations