Geometry & MOs

Info

ID:	142823
PubChem CID:	53097040
Reduced:	SN4O4C23H28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	479.151492
ΔH_f, kcal/mol:	-108.34
Dipole, Da:	3.74
IP(EA), eV:	-8.62(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-(4-methylpiperidin-1-yl)sulfonyl-9-pyridin-3-yloxy-5H-benzo[b][1,4]benzoxazepin-6-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C3C(=C2)OC4=CC=CC=C4NC3=O)S(=O)(=O)N5CCCCC5

DOS

IR

Vibrations