Geometry & MOs

Info

ID:	417360
PubChem CID:	135092704
Reduced:	S2N4O5C12H20 (1)
Stoich.:	A2B4C5D12E20 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-165.85
Dipole, Da:	7.27
IP(EA), eV:	-9.59(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylphenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C(O1)SCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations