Geometry & MOs

Info

ID:	44009
PubChem CID:	10322877
Reduced:	NPS3O4C20H34 (1)
Stoich.:	ABC3D4E20F34 (1)
Weight, g/mol:	383.282429
ΔH_f, kcal/mol:	-238.54
Dipole, Da:	5.97
IP(EA), eV:	-8.39(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-5-(4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl)pentan-3-one

Drug info:

PubChemData

Smile

CCCCOC(=S)SC(C(C)(C)SC1=CC=CC=C1)N(C)P(=O)(OCC)OCC

DOS

IR

Vibrations