Geometry & MOs

Info

ID:	163938
PubChem CID:	74380983
Reduced:	N2O3C27H39 (1)
Stoich.:	A2B3C27D39 (1)
Weight, g/mol:	548.1423
ΔH_f, kcal/mol:	-110.89
Dipole, Da:	4.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754487
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-[2-(cyclopropylmethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C2=CC=CC=C2)C(=O)OC3C[N+]4(CCC3CC4)CC(=O)N5CCCC5

DOS

IR

Vibrations