Geometry & MOs

Info

ID:	123211
PubChem CID:	50837841
Reduced:	FS2N3O4H20C23 (1)
Stoich.:	AB2C3D4E20F23 (1)
Weight, g/mol:	441.141008
ΔH_f, kcal/mol:	-67.75
Dipole, Da:	3.66
IP(EA), eV:	-9.25(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylsulfonyl-7-[(4-fluorophenyl)methoxymethyl]-3,5-dihydro-2H-1,4-benzoxazepine

Drug info:

PubChemData

Smile

C1COC2=C(CN1S(=O)(=O)C3=CC=CC4=NSN=C43)C=C(C=C2)COCC5=CC=C(C=C5)F

DOS

IR

Vibrations