Geometry & MOs

Info

ID:	142822
PubChem CID:	53096880
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	456.183127
ΔH_f, kcal/mol:	-135.56
Dipole, Da:	7.76
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-methylpiperazin-1-yl)-8-piperidin-1-ylsulfonyl-5H-benzo[b][1,4]benzoxazepin-6-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CC(O2)C(=O)NC3=CC=CC=C3C)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations