Geometry & MOs

Info

ID:	31841
PubChem CID:	3720852
Reduced:	ClFO2N3H15C22 (1)
Stoich.:	ABC2D3E15F22 (1)
Weight, g/mol:	401.93666
ΔH_f, kcal/mol:	8.81
Dipole, Da:	2.71
IP(EA), eV:	-8.84(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-chlorophenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)C=NOC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations