Geometry & MOs

Info

ID:	189227
PubChem CID:	77829229
Reduced:	N3F5O5C27H28 (1)
Stoich.:	A3B5C5D27E28 (1)
Weight, g/mol:	410.187543
ΔH_f, kcal/mol:	-435.2
Dipole, Da:	1.65
IP(EA), eV:	-9.03(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[3-(benzylsulfonylamino)-6-methyl-2-oxopiperidin-4-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)O)C)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(C4(C3C(=O)N4CC(F)(F)F)C)(F)F)O

DOS

IR

Vibrations