Geometry & MOs

Info

ID:	59467
PubChem CID:	24875002
Reduced:	ON4C22H22 (1)
Stoich.:	AB4C22D22 (1)
Weight, g/mol:	501.178547
ΔH_f, kcal/mol:	69.08
Dipole, Da:	8.03
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=CC=C2)C3=CC4=NC(=O)C5=CC=CC=C5N4N3

DOS

IR

Vibrations