Geometry & MOs

Info

ID:	319344
PubChem CID:	126655698
Reduced:	NS2O6C18H19 (1)
Stoich.:	AB2C6D18E19 (1)
Weight, g/mol:	351.108228
ΔH_f, kcal/mol:	-197.61
Dipole, Da:	3.57
IP(EA), eV:	-9.27(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)S(=O)(=O)CCN2CC3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations