Geometry & MOs

Info

ID:

231214

PubChem CID:

87573012

Reduced:

ClNSH13C16 (1)

Stoich.:

ABCD13E16 (1)

Weight, g/mol:

183.006261

ΔHf, kcal/mol:

60.99

Dipole, Da:

4.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.915190

Charge, e:

 0

Chem-info

IUPAC name:

azane;4-chloro-4,5,6-trifluorobicyclo[3.1.0]hexa-1(6),2-diene

Drug info:

PubChemData

Smile

C[N+]1=C(SC2=CC=CC=C21)/C=C(/C3=CC=CC=C3)\Cl

DOS

IR

Vibrations