Geometry & MOs

Info

ID:	415326
PubChem CID:	135088320
Reduced:	FO4N5C15H16 (1)
Stoich.:	AB4C5D15E16 (1)
Weight, g/mol:	372.115521
ΔH_f, kcal/mol:	-93.02
Dipole, Da:	6.22
IP(EA), eV:	-9.02(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=NOC(=N1)CNC(=O)COCC2=NC3=C(N2)C=C(C=C3)F

DOS

IR

Vibrations