Geometry & MOs

Info

ID:	349052
PubChem CID:	127274778
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	387.165034
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	3.66
IP(EA), eV:	-8.83(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CN=C(C=C2)NC(=O)CSCC3CCCCO3

DOS

IR

Vibrations