Geometry & MOs

Info

ID:	35008
PubChem CID:	7979189
Reduced:	ClN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	409.134779
ΔH_f, kcal/mol:	-89.38
Dipole, Da:	3.39
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-2-oxoethyl] (3R,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)C

DOS

IR

Vibrations