Geometry & MOs

Info

ID:	419648
PubChem CID:	135108649
Reduced:	SO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	3.44
Dipole, Da:	3.43
IP(EA), eV:	-9.6(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[3-(2-methylphenyl)propanoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)C2=CSC(=N2)C3=CC=CC=C3)CC4=CC=NC=C4

DOS

IR

Vibrations