Geometry & MOs

Info

ID:	54782
PubChem CID:	17389260
Reduced:	SN2O5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-122.94
Dipole, Da:	9.86
IP(EA), eV:	-8.69(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-dimethylaminomethylideneamino]-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations