Geometry & MOs

Info

ID:	427058
PubChem CID:	135155261
Reduced:	ClN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	613.214602
ΔH_f, kcal/mol:	-58.35
Dipole, Da:	4.44
IP(EA), eV:	-8.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-aminopiperidin-1-yl)-1,1-difluoro-3-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-(cyclopentylmethyl)indazole-5-sulfonamide

Drug info:

PubChemData

Smile

CN1CCC(C1)COC2=C(C=C3C4=C(CCCC4)C(=NC3=C2)Cl)OC

DOS

IR

Vibrations