Geometry & MOs

Info

ID:	374375
PubChem CID:	131327579
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	341.010027
ΔH_f, kcal/mol:	-70.6
Dipole, Da:	6.58
IP(EA), eV:	-9.42(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1-benzazepine-7-sulfonyl chloride

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1C=O)CC(=O)O)Br

DOS

IR

Vibrations