Geometry & MOs

Info

ID:	350438
PubChem CID:	127277800
Reduced:	OSN2C9H11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	-46.67
Dipole, Da:	2.25
IP(EA), eV:	-8.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

DOS

IR

Vibrations