Geometry & MOs

Info

ID:	243935
PubChem CID:	99302913
Reduced:	ClO3N4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	432.219512
ΔH_f, kcal/mol:	-89.15
Dipole, Da:	6.53
IP(EA), eV:	-8.66(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CN(CCC(=O)OCC)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations