Geometry & MOs

Info

ID:	318952
PubChem CID:	126653846
Reduced:	BrO4N6C31H33 (1)
Stoich.:	AB4C6D31E33 (1)
Weight, g/mol:	346.10659
ΔH_f, kcal/mol:	-82.57
Dipole, Da:	5.79
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-carbamoyl-5-(1,5-naphthyridin-3-yl)indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(C[C@H](N1C(=O)CN2C=C(C3=C2C=CC(=C3)C4=CN=C(N=C4)C)C(=O)C)C(=O)NC5=NC(=CC(=C5)OC)Br)(C)C

DOS

IR

Vibrations