Geometry & MOs

Info

ID:	35212
PubChem CID:	7979517
Reduced:	Cl2N2O3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	423.150429
ΔH_f, kcal/mol:	-80.33
Dipole, Da:	5.59
IP(EA), eV:	-9.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propan-2-ylphenyl)ethyl] (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)CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations