Geometry & MOs

Info

ID:	381650
PubChem CID:	134972447
Reduced:	NO4C8H13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	385.192294
ΔH_f, kcal/mol:	-135.73
Dipole, Da:	3.61
IP(EA), eV:	-9.85(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-5-(1,3-dioxan-2-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C=[N+]([C@H]([C@@H]2O1)CO)[O-])C

DOS

IR

Vibrations