Geometry & MOs

Info

ID:	224056
PubChem CID:	85337655
Reduced:	ClFNSO6C25H33 (1)
Stoich.:	ABCDE6F25G33 (1)
Weight, g/mol:	530.128784
ΔH_f, kcal/mol:	-280.92
Dipole, Da:	2.03
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[[2,4-bis(trifluoromethyl)phenyl]methoxycarbonyl]piperidine-2-carbonyl]amino]-5-fluoro-4-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1COCC(=CCC(OC(=O)CC(C2(CCC2)C(=O)C(C1O)C)O)C(=CC3=CSC(=N3)C)F)Cl

DOS

IR

Vibrations