Geometry & MOs

Info

ID:	217399
PubChem CID:	85087759
Reduced:	SO6H16C18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	-177.43
Dipole, Da:	8.66
IP(EA), eV:	-8.91(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C4C=COC4O3)C(=C2)OC

DOS

IR

Vibrations