Geometry & MOs

Info

ID:	156729
PubChem CID:	56373925
Reduced:	N3C13H17 (2)
Stoich.:	A3B13C17 (2)
Weight, g/mol:	422.070321
ΔH_f, kcal/mol:	75.94
Dipole, Da:	2.45
IP(EA), eV:	-8.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]benzoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=CC=N2)CNCC3=CC4=CC=CC=C4N=C3N5CCCCC5

DOS

IR

Vibrations