Geometry & MOs

Info

ID:	123209
PubChem CID:	50837839
Reduced:	ClFNSO4H21C23 (1)
Stoich.:	ABCDE4F21G23 (1)
Weight, g/mol:	461.086385
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	7.33
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations