Geometry & MOs

Info

ID:	163812
PubChem CID:	74380489
Reduced:	BrO3N5C27H28 (1)
Stoich.:	AB3C5D27E28 (1)
Weight, g/mol:	570.12665
ΔH_f, kcal/mol:	9.26
Dipole, Da:	2.11
IP(EA), eV:	-9.12(-1.0)
Spin(S_z, 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-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC1CC2=NC3=C(N2C4=CC=C(C=C4)CC(C(=O)O)NC5=C(C(=O)C56CCNCC6)Br)N=CC=C3

DOS

IR

Vibrations