Geometry & MOs

Info

ID:	65123
PubChem CID:	29204501
Reduced:	S2O3N4C23H28 (1)
Stoich.:	A2B3C4D23E28 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-56.56
Dipole, Da:	4.79
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)phenyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations