Geometry & MOs

Info

ID:	35004
PubChem CID:	7979185
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	409.134779
ΔH_f, kcal/mol:	-171.13
Dipole, Da:	5.04
IP(EA), eV:	-9.3(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-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

CC1CCC(CC1)NC(=O)COC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations