Geometry & MOs

Info

ID:	437971
PubChem CID:	135227424
Reduced:	SN2F3O3H19C21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	431.145676
ΔH_f, kcal/mol:	-209.54
Dipole, Da:	4.64
IP(EA), eV:	-9.08(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylpyrimidin-2-yl)methyl]-6-[(2E,4E)-5-(trifluoromethoxy)hepta-2,4,6-trien-2-yl]-4H-1,3-benzoxazin-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN(CC2=C(C=CC(=C2)C3=CC=C(C=C3)OC(F)(F)F)OC)C=O

DOS

IR

Vibrations