Geometry & MOs

Info

ID:

229698

PubChem CID:

87568517

Reduced:

OSCl2N4C25H28 (1)

Stoich.:

ABC2D4E25F28 (1)

Weight, g/mol:

651.28075

ΔHf, kcal/mol:

37.74

Dipole, Da:

5.26

IP(EA), eV:

 -8.53(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

O-[N'-(1-adamantyl)carbamimidoyl] N-(1-adamantyl)carbamothioate;O-carbamimidoyl N-[2-(carbamimidoyloxycarbothioylamino)ethyl]carbamothioate

Drug info:

PubChemData

Smile

CCC/C=C\C1=CC=C(S1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCC4)C

DOS

IR

Vibrations