Geometry & MOs

Info

ID:	33222
PubChem CID:	7885475
Reduced:	FSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-95.9
Dipole, Da:	4.3
IP(EA), eV:	-8.92(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)N[C@@H](C)C4=CC=C(C=C4)F

DOS

IR

Vibrations