Geometry & MOs

Info

ID:	35225
PubChem CID:	7979538
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-69.11
Dipole, Da:	4.74
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=CC=CC=C2C

DOS

IR

Vibrations