Geometry & MOs

Info

ID:	434921
PubChem CID:	135176006
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	639.230252
ΔH_f, kcal/mol:	-179.68
Dipole, Da:	3.57
IP(EA), eV:	-9.03(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-3-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-(cyclopentylmethyl)indazole-5-sulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)OCC2CCCCC2)O

DOS

IR

Vibrations