Geometry & MOs

Info

ID:	314828
PubChem CID:	126623541
Reduced:	NO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	561.03177
ΔH_f, kcal/mol:	-125.04
Dipole, Da:	2.68
IP(EA), eV:	-9.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-3,6-dihydro-2H-pyridin-1-yl]sulfonylmethyl]-3-carbamoylindole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)N(C=C2)C(=O)O

DOS

IR

Vibrations