Geometry & MOs

Info

ID:	188570
PubChem CID:	77736297
Reduced:	FN3O5C26H28 (1)
Stoich.:	AB3C5D26E28 (1)
Weight, g/mol:	442.075406
ΔH_f, kcal/mol:	-229.89
Dipole, Da:	9.03
IP(EA), eV:	-9.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2CCC(CC2C(=O)N(C1=O)CC3=CC=C(C=C3)C(=O)OC)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations