Geometry & MOs

Info

ID:	434549
PubChem CID:	135175169
Reduced:	ClSN2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	605.203895
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	7.9
IP(EA), eV:	-9.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[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

C1CCC(C1)CN2C3=C(C=C(C=C3)S(=O)(=O)Cl)C=N2

DOS

IR

Vibrations