Geometry & MOs

Info

ID:	313677
PubChem CID:	126617154
Reduced:	BrSO2F3N3C13H13 (1)
Stoich.:	ABC2D3E3F13G13 (1)
Weight, g/mol:	614.167388
ΔH_f, kcal/mol:	-173.3
Dipole, Da:	4.63
IP(EA), eV:	-9.06(-1.13)
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]methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C3C=C(C=CC3=NN2)Br)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations