Geometry & MOs

Info

ID:	341234
PubChem CID:	127263669
Reduced:	ClN2F3C7H8 (1)
Stoich.:	AB2C3D7E8 (1)
Weight, g/mol:	257.94625
ΔH_f, kcal/mol:	-164.76
Dipole, Da:	4.05
IP(EA), eV:	-10.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-1,5-dihydropyrido[2,3-e][1,4]thiazepin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)[C@H](C(F)(F)F)N.Cl

DOS

IR

Vibrations