Geometry & MOs

Info

ID:	143302
PubChem CID:	53183007
Reduced:	ClSN4O4C20H21 (1)
Stoich.:	ABC4D4E20F21 (1)
Weight, g/mol:	394.083268
ΔH_f, kcal/mol:	-80.61
Dipole, Da:	6.85
IP(EA), eV:	-8.7(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-12-(furan-2-carbonyl)-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(O2)C3=C(C=NN3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations