Geometry & MOs

Info

ID:	418890
PubChem CID:	135107083
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	356.093913
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	4.67
IP(EA), eV:	-9.45(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations