Geometry & MOs

Info

ID:	196677
PubChem CID:	78863464
Reduced:	O2F3N3C21H24 (1)
Stoich.:	A2B3C3D21E24 (1)
Weight, g/mol:	357.022642
ΔH_f, kcal/mol:	-209.31
Dipole, Da:	7.26
IP(EA), eV:	-9.11(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloronaphthalen-1-yl) (3-cyanophenyl)methanesulfonate

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCN2C=CC=CC2=O)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations