Geometry & MOs

Info

ID:

188024

PubChem CID:

77654589

Reduced:

SF3N7O7C30H32 (1)

Stoich.:

AB3C7D7E30F32 (1)

Weight, g/mol:

381.14887

ΔHf, kcal/mol:

-239.93

Dipole, Da:

5.54

IP(EA), eV:

 -9.67(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-1,3-dimethyl-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-5,6,8,8a-tetrahydro-4aH-pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)CC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-])N(C(N2OC(=O)C(F)(F)F)SC5(CCCCC5)CN)CC6=CC=CC=C6

DOS

IR

Vibrations