Geometry & MOs

Info

ID:	67377
PubChem CID:	46506375
Reduced:	BrClFOSN2H15C19 (1)
Stoich.:	ABCDEF2G15H19 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-35.61
Dipole, Da:	6.83
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-16-phenyl-2-oxa-16,18-diazatetracyclo[7.6.3.01,10.03,8]octadeca-3(8),4,6-triene-17-thione

Drug info:

PubChemData

Smile

C1CC2C3C4=C(C=CC(=C4)Br)OC2(C1)N(C(=S)N3)C5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations