Geometry & MOs

Info

ID:	123214
PubChem CID:	50837844
Reduced:	ClFNSO4H21C23 (1)
Stoich.:	ABCDE4F21G23 (1)
Weight, g/mol:	441.141008
ΔH_f, kcal/mol:	-136.88
Dipole, Da:	1.72
IP(EA), eV:	-9.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(CN1S(=O)(=O)C3=CC=C(C=C3)Cl)C=C(C=C2)COCC4=CC(=CC=C4)F

DOS

IR

Vibrations