Geometry & MOs

Info

ID:	187746
PubChem CID:	77618599
Reduced:	N2S3O7C26H26 (1)
Stoich.:	A2B3C7D26E26 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-178.31
Dipole, Da:	10.64
IP(EA), eV:	-9.41(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-piperidin-2-ylethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCOC(=O)CCC2=CC=C(C=C2)S(=O)(=O)C3=C4C(=NC(=S)N4)C=CC3OC

DOS

IR

Vibrations