Geometry & MOs

Info

ID:

85564

PubChem CID:

49876899

Reduced:

BrClSN2O2H15C16 (1)

Stoich.:

ABCD2E2F15G16 (1)

Weight, g/mol:

333.003143

ΔHf, kcal/mol:

15.33

Dipole, Da:

3.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.948746

Charge, e:

 -1

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate;chloride

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=CC(=CC=C3)Br.[Cl-]

DOS

IR

Vibrations