Geometry & MOs

Info

ID:	57682
PubChem CID:	22432435
Reduced:	ON4C15H16 (2)
Stoich.:	AB4C15D16 (2)
Weight, g/mol:	451.050792
ΔH_f, kcal/mol:	74.97
Dipole, Da:	7.39
IP(EA), eV:	-8.53(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonylamino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=CC(=CC=C3)NC4=NC5=CC=CC=C5N6C4=NN=C6

DOS

IR

Vibrations