Geometry & MOs

Info

ID:

401386

PubChem CID:

135051121

Reduced:

NOSC10H12 (1)

Stoich.:

ABCD10E12 (1)

Weight, g/mol:

282.093918

ΔHf, kcal/mol:

-20.37

Dipole, Da:

3.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.777142

Charge, e:

 0

Chem-info

IUPAC name:

anilino N'-cyano-N-methyl-N-phenylcarbamimidothioate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[S+](CCC2=O)N

DOS

IR

Vibrations