Geometry & MOs

Info

ID:	397618
PubChem CID:	135030476
Reduced:	BrNOSH14C16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	453.189278
ΔH_f, kcal/mol:	9.78
Dipole, Da:	4.44
IP(EA), eV:	-9.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-benzhydrylidene-15-(4-fluorophenyl)-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@]2(C3=CC=CC=C3C(=O)N2)SCCBr

DOS

IR

Vibrations