Geometry & MOs

Info

ID:	356393
PubChem CID:	127291466
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	341.213698
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	5.78
IP(EA), eV:	-8.8(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dimethylbutanoyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)C2CSCN2C(=O)C3CCC3

DOS

IR

Vibrations