Geometry & MOs

Info

ID:	127432
PubChem CID:	51002220
Reduced:	O2N3H17C22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	394.072035
ΔH_f, kcal/mol:	31.23
Dipole, Da:	2.55
IP(EA), eV:	-8.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-5-hydroxy-1-(4-methylphenyl)-7-oxo-4H-pyrrolo[3,2-b]pyridin-6-yl]benzoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=CC3=C2C(=O)C(=C(N3)O)C4=CC=CC=C4)C#N

DOS

IR

Vibrations