Geometry & MOs

Info

ID:	152128
PubChem CID:	56310992
Reduced:	SO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-51.72
Dipole, Da:	4.29
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations