Geometry & MOs

Info

ID:	10653
PubChem CID:	106076
Reduced:	N3O4H10C11 (2)
Stoich.:	A3B4C10D11 (2)
Weight, g/mol:	496.134262
ΔH_f, kcal/mol:	-209.69
Dipole, Da:	7.01
IP(EA), eV:	-9.16(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-2-(2-methoxyanilino)-2-oxoethyl]diazenyl]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C(C2=NC(=O)NC(=O)N2)N=NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations