Geometry & MOs

Info

ID:	128713
PubChem CID:	51054991
Reduced:	FSO2N5C15H16 (1)
Stoich.:	ABC2D5E15F16 (1)
Weight, g/mol:	426.115104
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	2.03
IP(EA), eV:	-9.14(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-2,4,7-trioxo-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)F)NC(=O)N3CCCC3

DOS

IR

Vibrations