Geometry & MOs

Info

ID:	349961
PubChem CID:	127276766
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	382.149718
ΔH_f, kcal/mol:	37.35
Dipole, Da:	5.2
IP(EA), eV:	-9.17(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)N=C(S2)NC(=O)C3=CN4C=CN=C4C=C3

DOS

IR

Vibrations