Geometry & MOs

Info

ID:	180226
PubChem CID:	76602011
Reduced:	SN4O5C35H44 (1)
Stoich.:	AB4C5D35E44 (1)
Weight, g/mol:	497.25237
ΔH_f, kcal/mol:	-202.05
Dipole, Da:	5.78
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(4-tert-butylpiperazin-1-yl)-3,5-difluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)C(CC1CCCCC1)N2C(SC(C2=O)CC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O)C6=CC=CC=C6

DOS

IR

Vibrations