Geometry & MOs

Info

ID:	218204
PubChem CID:	85089025
Reduced:	ClN2O3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	440.00416
ΔH_f, kcal/mol:	-103.73
Dipole, Da:	4.1
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[7-(4-bromophenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]methoxy]ethyl acetate

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O.Cl

DOS

IR

Vibrations