Geometry & MOs

Info

ID:	417257
PubChem CID:	135091800
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	366.134635
ΔH_f, kcal/mol:	-35.76
Dipole, Da:	3.68
IP(EA), eV:	-9.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CC2=CC=CS2)CC3=CC=NC=C3

DOS

IR

Vibrations