Geometry & MOs

Info

ID:

85563

PubChem CID:

49876892

Reduced:

SCl2O3N4H15C18 (1)

Stoich.:

AB2C3D4E15F18 (1)

Weight, g/mol:

412.97261

ΔHf, kcal/mol:

-15.92

Dipole, Da:

5.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.132516

Charge, e:

 -1

Chem-info

IUPAC name:

(3-bromophenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate;chloride

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)N=C(N)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl.[Cl-]

DOS

IR

Vibrations