Geometry & MOs

Info

ID:	186818
PubChem CID:	77490825
Reduced:	F2N2O4C13H16 (1)
Stoich.:	A2B2C4D13E16 (1)
Weight, g/mol:	508.203193
ΔH_f, kcal/mol:	-272.76
Dipole, Da:	2.14
IP(EA), eV:	-9.38(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-thioxanthen-9-ylidenepiperidin-1-yl)pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C(COC(F)F)NC(=O)O

DOS

IR

Vibrations