Geometry & MOs

Info

ID:	313665
PubChem CID:	126616842
Reduced:	O2N5C20H35 (1)
Stoich.:	A2B5C20D35 (1)
Weight, g/mol:	660.136482
ΔH_f, kcal/mol:	-115.69
Dipole, Da:	6.11
IP(EA), eV:	-8.96(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonylpyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NCC(CC2=CN=CN2)NC(=O)C(C)N)C(C)C

DOS

IR

Vibrations