Geometry & MOs

Info

ID:	356245
PubChem CID:	127291318
Reduced:	OSN2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	396.165369
ΔH_f, kcal/mol:	-49.28
Dipole, Da:	6.25
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)N3CCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations