Geometry & MOs

Info

ID:	417477
PubChem CID:	135095266
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	529.290034
ΔH_f, kcal/mol:	-133.39
Dipole, Da:	6.36
IP(EA), eV:	-9.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-(2-methoxyacetyl)-3-methyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCCS(=O)(=O)N)O)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations