Geometry & MOs

Info

ID:	351456
PubChem CID:	127280344
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-132.95
Dipole, Da:	4.8
IP(EA), eV:	-9.24(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations