Geometry & MOs

Info

ID:	356348
PubChem CID:	127291421
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	396.219512
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	9.35
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3CSCN3C(=O)C4CCC4

DOS

IR

Vibrations