Geometry & MOs

Info

ID:	421228
PubChem CID:	135115622
Reduced:	FSO3N5C19H22 (1)
Stoich.:	ABC3D5E19F22 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-40.93
Dipole, Da:	6.42
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[2-(2,3-dimethylphenoxy)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(SN=N1)CNC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations