Geometry & MOs

Info

ID:	175550
PubChem CID:	75920635
Reduced:	N2S2O3C21H26 (1)
Stoich.:	A2B2C3D21E26 (1)
Weight, g/mol:	454.305624
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	6.92
IP(EA), eV:	-8.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carbonylamino)-3-phenylpropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations