Geometry & MOs

Info

ID:	46047
PubChem CID:	10520758
Reduced:	ClSO2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	334.89795
ΔH_f, kcal/mol:	-70.2
Dipole, Da:	7.64
IP(EA), eV:	-9.2(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dibromo-6-hydroxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)SC(CC2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations