Geometry & MOs

Info

ID:	437956
PubChem CID:	135227351
Reduced:	OF5N5H12C23 (1)
Stoich.:	AB5C5D12E23 (1)
Weight, g/mol:	454.097426
ΔH_f, kcal/mol:	-85.92
Dipole, Da:	4.93
IP(EA), eV:	-9.28(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-fluoro-4-(trifluoromethoxy)phenyl]-8a-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-4,8-dihydro-1,3-benzoxazin-2-one

Drug info:

PubChemData

Smile

C#CCOC1=C(C=CC(=C1)C2=CN3C(=NC(=C3C4=C(C5=C(C=C4)NN=C5)F)C(F)(F)F)C=N2)F

DOS

IR

Vibrations