Geometry & MOs

Info

ID:	123212
PubChem CID:	50837842
Reduced:	FNSO4C24H24 (1)
Stoich.:	ABCD4E24F24 (1)
Weight, g/mol:	484.146821
ΔH_f, kcal/mol:	-138.96
Dipole, Da:	4.23
IP(EA), eV:	-9.09(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[7-[(3-fluorophenyl)methoxymethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1COC2=C(CN1S(=O)(=O)CC3=CC=CC=C3)C=C(C=C2)COCC4=CC=C(C=C4)F

DOS

IR

Vibrations