Geometry & MOs

Info

ID:	356436
PubChem CID:	127291509
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	398.235162
ΔH_f, kcal/mol:	-152.89
Dipole, Da:	6.95
IP(EA), eV:	-8.64(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)NC(C)C(C)N2CCOCC2

DOS

IR

Vibrations