Geometry & MOs

Info

ID:	65932
PubChem CID:	46391366
Reduced:	SO4N6C24H28 (1)
Stoich.:	AB4C6D24E28 (1)
Weight, g/mol:	372.147393
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	5.79
IP(EA), eV:	-9.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-oxo-5-propan-2-ylbenzo[b][1,4]benzoxazepin-3-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCCC(C4)C(=O)NC5CC5

DOS

IR

Vibrations