Geometry & MOs

Info

ID:	42883
PubChem CID:	8150136
Reduced:	SN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-65.93
Dipole, Da:	18.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784424
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-4-oxo-2-[(1R)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)[NH+]3CCC(=CC3)C4=CC=CC=C4)C

DOS

IR

Vibrations