Geometry & MOs

Info

ID:

164017

PubChem CID:

74381459

Reduced:

BrO3N5H26C29 (1)

Stoich.:

AB3C5D26E29 (1)

Weight, g/mol:

487.141117

ΔHf, kcal/mol:

17.67

Dipole, Da:

5.01

IP(EA), eV:

 -9.29(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-chloro-4,4-dimethyl-3-oxocyclobuten-1-yl)amino]-3-[4-(2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)N4C5=C(C=NC=C5)N=C4C6=CN=CC=C6)C(=O)O

DOS

IR

Vibrations