Geometry & MOs

Info

ID:	403781
PubChem CID:	135061796
Reduced:	ClON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	440.083078
ΔH_f, kcal/mol:	-28.2
Dipole, Da:	7.85
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(benzenesulfonyl)-7,9-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,15,17,19-octaene-14,21-dione

Drug info:

PubChemData

Smile

CCC(CC)N1C=C(C2=C1C=C(N=C2Cl)C)CC=O

DOS

IR

Vibrations