Geometry & MOs

Info

ID:	136720
PubChem CID:	52089081
Reduced:	FN2O4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	448.120526
ΔH_f, kcal/mol:	-147.34
Dipole, Da:	7.61
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[5-methyl-4-oxo-3-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(C[C@@H]2CCCO2)C(=O)CCC3=NC=C(O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations