Geometry & MOs

Info

ID:	434547
PubChem CID:	135175163
Reduced:	FNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	605.203895
ΔH_f, kcal/mol:	13.34
Dipole, Da:	3.37
IP(EA), eV:	-9.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-chlorophenyl)-1,1-difluoro-3-oxopropan-2-yl]-1-(cyclopentylmethyl)indazole-5-sulfonamide

Drug info:

PubChemData

Smile

COCCCC#CC1=NC=C(C=C1)OF

DOS

IR

Vibrations