Geometry & MOs

Info

ID:	188571
PubChem CID:	77736298
Reduced:	ClSN2O4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-108.38
Dipole, Da:	2.46
IP(EA), eV:	-9.34(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl)methyl 3-benzyl-1-methyl-2,4-dioxo-4a,7a-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CN1C2C(C=C(S2)C(=O)OCC3=CC=C(C=C3)Cl)C(=O)N(C1=O)CC4=CC=CC=C4

DOS

IR

Vibrations