Geometry & MOs

Info

ID:

163865

PubChem CID:

74380567

Reduced:

BrO3N5C34H34 (1)

Stoich.:

AB3C5D34E34 (1)

Weight, g/mol:

577.16885

ΔHf, kcal/mol:

31.82

Dipole, Da:

3.9

IP(EA), eV:

 -9.01(-1.02)

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-[2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC1CC2=NC3=C(N2C4=CC=C(C=C4)CC(C(=O)O)NC5=C(C(=O)C56CCN(CC6)CC7=CC=CC=C7)Br)N=CC=C3

DOS

IR

Vibrations