Geometry & MOs

Info

ID:	123215
PubChem CID:	50837869
Reduced:	FNSO4C24H24 (1)
Stoich.:	ABCD4E24F24 (1)
Weight, g/mol:	427.125358
ΔH_f, kcal/mol:	-141.76
Dipole, Da:	6.99
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)sulfonyl-7-(phenylmethoxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3)COCC4=CC=CC=C4F

DOS

IR

Vibrations