Geometry & MOs

Info

ID:	174629
PubChem CID:	75797498
Reduced:	BrOSN5C21H22 (1)
Stoich.:	ABCD5E21F22 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	56.98
Dipole, Da:	8.69
IP(EA), eV:	-9.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzylsulfonylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2CC(=O)NC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations