Geometry & MOs

Info

ID:	420093
PubChem CID:	135111111
Reduced:	FO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	370.109563
ΔH_f, kcal/mol:	-70.13
Dipole, Da:	7.67
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(2-chloro-6-fluoro-3-methylbenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(C)NC2=NC(=CN=C2)C(=O)N3CCCC3)F

DOS

IR

Vibrations