Geometry & MOs

Info

ID:

401723

PubChem CID:

135052278

Reduced:

N2S2C9H13 (1)

Stoich.:

A2B2C9D13 (1)

Weight, g/mol:

196.040828

ΔHf, kcal/mol:

56.53

Dipole, Da:

5.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.851076

Charge, e:

 1

Chem-info

IUPAC name:

(Z,Z)-bis[chloro(dimethylamino)methylidene]azanium

Drug info:

PubChemData

Smile

CC1=CC(=[N+](C=C1)NC(=S)SC)C

DOS

IR

Vibrations