Geometry & MOs

Info

ID:	49631
PubChem CID:	11533415
Reduced:	SO4N6C24H32 (1)
Stoich.:	AB4C6D24E32 (1)
Weight, g/mol:	382.262028
ΔH_f, kcal/mol:	-85.52
Dipole, Da:	8.95
IP(EA), eV:	-8.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-cyclopentyl-2-hydroxy-N-[3-(4-methylpent-3-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)CCN5CCOCC5

DOS

IR

Vibrations