Geometry & MOs

Info

ID:	244239
PubChem CID:	99319554
Reduced:	FN2O4H21C24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	399.159434
ΔH_f, kcal/mol:	-131.62
Dipole, Da:	1.17
IP(EA), eV:	-8.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-N-[2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)OCC(=O)NCCNC(=O)CC4=CC(=CC=C4)F

DOS

IR

Vibrations