Geometry & MOs

Info

ID:	231942
PubChem CID:	87574968
Reduced:	Br3N4O10C19H27 (1)
Stoich.:	A3B4C10D19E27 (1)
Weight, g/mol:	709.92568
ΔH_f, kcal/mol:	-434.75
Dipole, Da:	10.94
IP(EA), eV:	-10.09(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-aminoacetyl)amino]-2,4,6-tribromo-3-N-(2,3,4,5,6,8,9-heptahydroxynonyl)benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C(C(CO)O)C(C(C(C(C(CO)O)O)O)O)NC(=O)C1=C(C(=C(C(=C1Br)C(=O)N)Br)NC(=O)CN)Br

DOS

IR

Vibrations