Geometry & MOs

Info

ID:	379656
PubChem CID:	134454601
Reduced:	FN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	552.186966
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	3.26
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(4-amino-2-oxopyrimidin-1-yl)-3-(4-methoxyanilino)-6-(4-methylanilino)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)OC3=CC(=CN=C3)F)C4=CC=C(C=C4)O

DOS

IR

Vibrations