Geometry & MOs

Info

ID:	418655
PubChem CID:	135106506
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	352.14345
ΔH_f, kcal/mol:	-37.37
Dipole, Da:	3.18
IP(EA), eV:	-8.98(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(3-fluoro-4-methoxybenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)C(=O)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations