Geometry & MOs

Info

ID:	81064
PubChem CID:	49854307
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	587.28964
ΔH_f, kcal/mol:	-119.89
Dipole, Da:	7.46
IP(EA), eV:	-9.11(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-methyl-2-oxo-1,5-diphenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)NO

DOS

IR

Vibrations