Geometry & MOs

Info

ID:	196538
PubChem CID:	78845659
Reduced:	SO2N4C22H32 (1)
Stoich.:	AB2C4D22E32 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-73.66
Dipole, Da:	6.38
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propan-2-ylphenyl) 1-(2-methylpropanoyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(CNC(=O)C2=C(NC(=NC2=O)C(C)(C)C)C)C3=CC=CS3

DOS

IR

Vibrations