Geometry & MOs

Info

ID:	34974
PubChem CID:	7979153
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	6.68
IP(EA), eV:	-9.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N

DOS

IR

Vibrations