Geometry & MOs

Info

ID:	427230
PubChem CID:	135156282
Reduced:	OCl2N6C26H26 (1)
Stoich.:	AB2C6D26E26 (1)
Weight, g/mol:	406.050254
ΔH_f, kcal/mol:	45.16
Dipole, Da:	1.45
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-(9-oxa-3,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

DOS

IR

Vibrations