Geometry & MOs

Info

ID:	61775
PubChem CID:	26712794
Reduced:	Br2N3O4H13C16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	479.05144
ΔH_f, kcal/mol:	-38.12
Dipole, Da:	4.31
IP(EA), eV:	-9.49(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-2-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations