Geometry & MOs

Info

ID:	356247
PubChem CID:	127291320
Reduced:	O2S2N4C17H24 (1)
Stoich.:	A2B2C4D17E24 (1)
Weight, g/mol:	382.149718
ΔH_f, kcal/mol:	-35.37
Dipole, Da:	0.89
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)N3CCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations