Geometry & MOs

Info

ID:	170452
PubChem CID:	75236028
Reduced:	BrON3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	520.41009
ΔH_f, kcal/mol:	53.64
Dipole, Da:	5.29
IP(EA), eV:	-9.67(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]hexadecanamide

Drug info:

PubChemData

Smile

C1=CC2=NC(C(=O)N=C2C=C1Br)N

DOS

IR

Vibrations