Geometry & MOs

Info

ID:	34902
PubChem CID:	7979070
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-8.37
Dipole, Da:	7.26
IP(EA), eV:	-8.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

DOS

IR

Vibrations