Geometry & MOs

Info

ID:	160856
PubChem CID:	57390003
Reduced:	F3O3N5C24H24 (1)
Stoich.:	A3B3C5D24E24 (1)
Weight, g/mol:	585.190912
ΔH_f, kcal/mol:	-207.24
Dipole, Da:	10.34
IP(EA), eV:	-8.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[5-cyclopropyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methoxy]azepan-1-yl]-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCCC(C1=NC=C(C=C1)C(=O)NCCC(=O)O)NC2=CN=C(N=C2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations