Geometry & MOs

Info

ID:	61774
PubChem CID:	26712786
Reduced:	BrN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	470.92523
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	8.47
IP(EA), eV:	-8.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)/C=C/C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations