Geometry & MOs

Info

ID:	433328
PubChem CID:	135173465
Reduced:	SF3O3N6C34H39 (1)
Stoich.:	AB3C3D6E34F39 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-162.31
Dipole, Da:	5.83
IP(EA), eV:	-8.28(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-3-yl)prop-1-en-2-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one

Drug info:

PubChemData

Smile

CCOC(CN1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C(=O)C5=C(C=CC(=C5F)NSN6CCC(C6)F)F)N=C3)OCC

DOS

IR

Vibrations