Geometry & MOs

Info

ID:	420842
PubChem CID:	135114915
Reduced:	F3O3N4C16H17 (1)
Stoich.:	A3B3C4D16E17 (1)
Weight, g/mol:	372.044979
ΔH_f, kcal/mol:	-199.03
Dipole, Da:	7.49
IP(EA), eV:	-9.9(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CC3=NC(=NO3)C(=O)N

DOS

IR

Vibrations