Geometry & MOs

Info

ID:	348987
PubChem CID:	127274713
Reduced:	ClSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-24.13
Dipole, Da:	6.34
IP(EA), eV:	-9.42(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)C3=CSC(=N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations