Geometry & MOs

Info

ID:	437975
PubChem CID:	135227428
Reduced:	F2N3O4C26H27 (1)
Stoich.:	A2B3C4D26E27 (1)
Weight, g/mol:	464.101763
ΔH_f, kcal/mol:	-184.37
Dipole, Da:	6.06
IP(EA), eV:	-8.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-4H-1,3-benzoxazin-2-one

Drug info:

PubChemData

Smile

CCCOC1=C(CC=CC(=C1)OC(C)(F)F)C2=CC3=C(C=C2)OC(=O)N(CC3)CC4=NC=CC=N4

DOS

IR

Vibrations