Geometry & MOs

Info

ID:

163813

PubChem CID:

74380491

Reduced:

BrO3N4H27C30 (1)

Stoich.:

AB3C4D27E30 (1)

Weight, g/mol:

584.1423

ΔHf, kcal/mol:

8.51

Dipole, Da:

5.86

IP(EA), eV:

 -8.74(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(1-methyl-2-pyridin-3-ylpyrrolo[3,2-b]pyridin-3-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)N4C=C(C5=C4N=CC=C5)C6=CN=CC=C6)C(=O)O

DOS

IR

Vibrations