Geometry & MOs

Info

ID:	163972
PubChem CID:	74381128
Reduced:	ClSN5O5C25H26 (1)
Stoich.:	ABC5D5E25F26 (1)
Weight, g/mol:	577.16885
ΔH_f, kcal/mol:	-81.25
Dipole, Da:	10.1
IP(EA), eV:	-9.26(-1.18)
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-(2-piperidin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C=C1)C(=NOC2CCCC2)C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)C(=O)N)Cl

DOS

IR

Vibrations