Geometry & MOs

Info

ID:	146168
PubChem CID:	53646367
Reduced:	BrNS2F3H5C6 (1)
Stoich.:	ABC2D3E5F6 (1)
Weight, g/mol:	414.183109
ΔH_f, kcal/mol:	-104.13
Dipole, Da:	2.69
IP(EA), eV:	-9.07(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-methoxy-3-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)phenyl]naphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC(=N1)SCC(C(F)(F)Br)F

DOS

IR

Vibrations