Geometry & MOs

Info

ID:	180729
PubChem CID:	76676432
Reduced:	O3N4C31H34 (1)
Stoich.:	A3B4C31D34 (1)
Weight, g/mol:	507.180347
ΔH_f, kcal/mol:	-39.7
Dipole, Da:	3.13
IP(EA), eV:	-8.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-5-[[3-propan-2-yl-4-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC2=NC(=CN21)C3=CC=C(C=C3)CC(CCO)NC(=O)C4=CC(=C(C=C4)OC(C)C)C#N

DOS

IR

Vibrations