Geometry & MOs

Info

ID:	234320
PubChem CID:	92298170
Reduced:	ClSN3O3C19H22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	467.95279
ΔH_f, kcal/mol:	-74.43
Dipole, Da:	10.28
IP(EA), eV:	-9.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-10-bromo-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)N/N=C\C2=CC=CC=C2Cl)C

DOS

IR

Vibrations