Geometry & MOs

Info

ID:	350437
PubChem CID:	127277799
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	390.118418
ΔH_f, kcal/mol:	-114.3
Dipole, Da:	5.67
IP(EA), eV:	-9.12(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propanoyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCN(CC2)C(C)C(=O)NC3CC3

DOS

IR

Vibrations