Geometry & MOs

Info

ID:	415453
PubChem CID:	135088447
Reduced:	Cl2O2N4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	391.154349
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	2.67
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)COC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations