Geometry & MOs

Info

ID:

1848

PubChem CID:

5178

Reduced:

BrON5C11H12 (2)

Stoich.:

ABC5D11E12 (2)

Weight, g/mol:

620.043

ΔHf, kcal/mol:

41.35

Dipole, Da:

4.04

IP(EA), eV:

 -8.92(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2,3-bis(2-amino-1H-imidazol-5-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=C(NC=C1Br)C(=O)NCC2C(C(C2C3=CN=C(N3)N)C4=CN=C(N4)N)CNC(=O)C5=CC(=CN5)Br

DOS

IR

Vibrations