Geometry & MOs

Info

ID:	437976
PubChem CID:	135227429
Reduced:	SN2F3O4H19C22 (1)
Stoich.:	AB2C3D4E19F22 (1)
Weight, g/mol:	440.081776
ΔH_f, kcal/mol:	-249.82
Dipole, Da:	4.07
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-4H-1,3-benzoxazin-2-one

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)CN2CC3=C(C=CC(=C3)C4=C(C=C(C=C4)OC(F)(F)F)OC)OC2=O

DOS

IR

Vibrations