Geometry & MOs

Info

ID:	349036
PubChem CID:	127274762
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	339.198048
ΔH_f, kcal/mol:	-128.79
Dipole, Da:	2.96
IP(EA), eV:	-8.89(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)C(=O)CSCC3CCCCO3

DOS

IR

Vibrations