Geometry & MOs

Info

ID:	421315
PubChem CID:	135115774
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-190.01
Dipole, Da:	9.45
IP(EA), eV:	-9.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[4-(2-methylphenyl)benzoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC

DOS

IR

Vibrations