Geometry & MOs

Info

ID:	35176
PubChem CID:	7979426
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-64.99
Dipole, Da:	5.49
IP(EA), eV:	-9.42(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-2-ethylpiperidin-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

CCOC1=CC=C(C=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations