Geometry & MOs

Info

ID:	434657
PubChem CID:	135175433
Reduced:	F2O4H10C11 (1)
Stoich.:	A2B4C10D11 (1)
Weight, g/mol:	655.219545
ΔH_f, kcal/mol:	-222.78
Dipole, Da:	1.86
IP(EA), eV:	-9.34(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-1-(cyclopentylmethyl)indazole-5-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(=O)C(=O)OC)(F)F

DOS

IR

Vibrations