Geometry & MOs

Info

ID:	262736
PubChem CID:	103313014
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	304.077869
ΔH_f, kcal/mol:	-130.96
Dipole, Da:	8.86
IP(EA), eV:	-9.38(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-fluoroanilino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)SC1CCC2=CC=CC=C2NC1=O

DOS

IR

Vibrations