Geometry & MOs

Info

ID:	382
PubChem CID:	2685
Reduced:	F3N4O5C23H25 (1)
Stoich.:	A3B4C5D23E25 (1)
Weight, g/mol:	494.177704
ΔH_f, kcal/mol:	-290.39
Dipole, Da:	9.68
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide

Drug info:

PubChemData

Smile

CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F

DOS

IR

Vibrations