Geometry & MOs

Info

ID:	37780
PubChem CID:	8024371
Reduced:	SN3O6C17H19 (1)
Stoich.:	AB3C6D17E19 (1)
Weight, g/mol:	382.044585
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	8.57
IP(EA), eV:	-8.57(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(4-methylphenyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=N\NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])OC

DOS

IR

Vibrations