Geometry & MOs

Info

ID:	65058
PubChem CID:	29204410
Reduced:	ISN3O4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	422.01274
ΔH_f, kcal/mol:	-26.06
Dipole, Da:	11.45
IP(EA), eV:	-8.73(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodophenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NS2(=O)=O)NOCC(=O)NC3=CC=C(C=C3)I

DOS

IR

Vibrations