Geometry & MOs

Info

ID:	356153
PubChem CID:	127291189
Reduced:	SO2N3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-102.33
Dipole, Da:	2.61
IP(EA), eV:	-8.61(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropanoyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2CSCN2C(=O)C3CCC3

DOS

IR

Vibrations