Geometry & MOs

Info

ID:	67376
PubChem CID:	46506372
Reduced:	SN2O2F3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	451.9761
ΔH_f, kcal/mol:	-187.68
Dipole, Da:	6.01
IP(EA), eV:	-8.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-14-(3-chloro-4-fluorophenyl)-2-oxa-14,16-diazatetracyclo[7.4.3.01,10.03,8]hexadeca-3(8),4,6-triene-15-thione

Drug info:

PubChemData

Smile

CC1C2C3=C(C(=CC=C3)OC)OC1(N(C(=S)N2)C4=CC=CC(=C4)C(F)(F)F)C

DOS

IR

Vibrations