Geometry & MOs

Info

ID:	142918
PubChem CID:	53115395
Reduced:	FSN4O4C19H19 (1)
Stoich.:	ABC4D4E19F19 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-123.86
Dipole, Da:	5.84
IP(EA), eV:	-8.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(NN=C2S(=O)(=O)NC3=CC=C(C=C3)OC)C)F

DOS

IR

Vibrations