Geometry & MOs

Info

ID:	192458
PubChem CID:	78271456
Reduced:	SN3O7C24H27 (1)
Stoich.:	AB3C7D24E27 (1)
Weight, g/mol:	432.081364
ΔH_f, kcal/mol:	-214.66
Dipole, Da:	6.59
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-4-oxo-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyloxymethyl)-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(S1)NC(NC2=O)COC(=O)C3=CC=C(C=C3)OCC4=C(ON=C4C)C)C

DOS

IR

Vibrations