Geometry & MOs

Info

ID:	158626
PubChem CID:	56464338
Reduced:	BrO2S2N3C14H16 (1)
Stoich.:	AB2C2D3E14F16 (1)
Weight, g/mol:	449.153991
ΔH_f, kcal/mol:	-18.68
Dipole, Da:	2.48
IP(EA), eV:	-9.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-chlorophenyl)-2-[4-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NNC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations