Geometry & MOs

Info

ID:

81345

PubChem CID:

49854625

Reduced:

SN4O5C20H28 (1)

Stoich.:

AB4C5D20E28 (1)

Weight, g/mol:

616.317332

ΔHf, kcal/mol:

-124.92

Dipole, Da:

5.17

IP(EA), eV:

 -9.04(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)[C@@H](CNS(=O)(=O)C1=CC=C(C=C1)OCC2=CC(=NC=C2)C)C(=O)NO

DOS

IR

Vibrations