Geometry & MOs

Info

ID:	449900
PubChem CID:	135302395
Reduced:	SO2N7H27C28 (1)
Stoich.:	AB2C7D27E28 (1)
Weight, g/mol:	478.167477
ΔH_f, kcal/mol:	103.32
Dipole, Da:	7.09
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[3-[5-(methylcarbamoyl)-1,3-thiazol-2-yl]benzoyl]piperazin-1-yl]-2-phenylacetate

Drug info:

PubChemData

Smile

CN1N=C(N=N1)[C@@H](C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)C5=NC6=C(S5)C=C(C=C6)OC

DOS

IR

Vibrations