Geometry & MOs

Info

ID:	218225
PubChem CID:	85089055
Reduced:	NOC6H8 (4)
Stoich.:	ABC6D8 (4)
Weight, g/mol:	440.21565
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	6.02
IP(EA), eV:	-9.27(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-difluoropropyl)-N-[2-methyl-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)NC(CCCN)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations