Geometry & MOs

Info

ID:	188576
PubChem CID:	77736521
Reduced:	ClSN2O4H19C24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	401.050398
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	5.15
IP(EA), eV:	-9.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-thiazol-5-ylmethyl 3-benzyl-2,4-dioxo-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)O)N2C(=O)C3C=C(SC3NC2=O)C#CCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations