Geometry & MOs

Info

ID:	34819
PubChem CID:	7978969
Reduced:	SO2N5C22H27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	409.134779
ΔH_f, kcal/mol:	-14.17
Dipole, Da:	6.08
IP(EA), eV:	-8.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-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

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations