Geometry & MOs

Info

ID:	387071
PubChem CID:	134983843
Reduced:	O4N5C16H19 (1)
Stoich.:	A4B5C16D19 (1)
Weight, g/mol:	645.73437
ΔH_f, kcal/mol:	-36.22
Dipole, Da:	6.1
IP(EA), eV:	-9.51(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,6-dibromo-4-[3,5-dibromo-4-[methyl(nitro)amino]benzoyl]phenyl]-N-methylnitramide

Drug info:

PubChemData

Smile

CCOC(=O)C\1=NC=N/C1=N/NN(C)C(C2=CC=C(C=C2)C)C(=O)O

DOS

IR

Vibrations