Geometry & MOs

Info

ID:	187166
PubChem CID:	77537900
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	459.255563
ΔH_f, kcal/mol:	-106.22
Dipole, Da:	6.67
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(3-naphthalen-1-ylsulfonyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)oxy]-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)CC2C(=O)NC=CN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations