Geometry & MOs

Info

ID:	35141
PubChem CID:	7979376
Reduced:	N3O5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	415.064507
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	4.01
IP(EA), eV:	-9.14(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-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

COC1=CC=CC(=C1OC)/C=N\NC(=O)CNC(=O)C2=CC=CO2

DOS

IR

Vibrations