Geometry & MOs

Info

ID:	376525
PubChem CID:	134222543
Reduced:	O2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	554.207782
ΔH_f, kcal/mol:	-127.01
Dipole, Da:	2.66
IP(EA), eV:	-9.31(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[(1-hydroxy-1,2-dihydronaphthalen-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations