Geometry & MOs

Info

ID:	59765
PubChem CID:	24896245
Reduced:	PSN3F4O5C25H28 (1)
Stoich.:	ABC3D4E5F25G28 (1)
Weight, g/mol:	534.227632
ΔH_f, kcal/mol:	-414.28
Dipole, Da:	5.06
IP(EA), eV:	-9.22(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[4-octoxy-3-(trifluoromethyl)phenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCCCCCCC1=C(C=C(C=C1)N(C2=NC(=C(S2)F)C3=CN=CC=C3)C(=O)COP(=O)(O)O)C(F)(F)F

DOS

IR

Vibrations