Geometry & MOs

Info

ID:	51836
PubChem CID:	12014589
Reduced:	ClSO3N5H14C20 (1)
Stoich.:	ABC3D5E14F20 (1)
Weight, g/mol:	423.080139
ΔH_f, kcal/mol:	-48.1
Dipole, Da:	6.67
IP(EA), eV:	-8.86(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-8-amino-6-(3H-1,3-benzothiazol-2-ylidene)-5-(4-fluorophenyl)-1,5-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N/C(=C/3\C(C4=C(NC(=O)NC4=O)N(C3=O)N)C5=CC=C(C=C5)Cl)/S2

DOS

IR

Vibrations