Geometry & MOs

Info

ID:	313629
PubChem CID:	126616752
Reduced:	SCl2N3O4H35C40 (1)
Stoich.:	AB2C3D4E35F40 (1)
Weight, g/mol:	479.197569
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	5.7
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-(4-chlorobenzoyl)-1-cyclopropylindazol-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CN2CCC(CC2)C3=NN(C4=C3C=C(C=C4)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)S(=O)(=O)C7=CC=CC=C7

DOS

IR

Vibrations