Geometry & MOs

Info

ID:	191140
PubChem CID:	78110187
Reduced:	ClSO6H17C21 (1)
Stoich.:	ABC6D17E21 (1)
Weight, g/mol:	383.155767
ΔH_f, kcal/mol:	-171.33
Dipole, Da:	3.45
IP(EA), eV:	-9.17(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-amino-3-(3,5-difluorophenyl)propan-2-yl]-6-(2-methylpyrazol-3-yl)-1H-pyrrolo[3,4-c]pyridin-3-one

Drug info:

PubChemData

Smile

CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C3=CC=C(S3)Cl)C

DOS

IR

Vibrations