Geometry & MOs

Info

ID:

233040

PubChem CID:

87691670

Reduced:

BrSN2H10C13 (1)

Stoich.:

ABC2D10E13 (1)

Weight, g/mol:

211.084458

ΔHf, kcal/mol:

100.24

Dipole, Da:

3.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763932

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C[N+](=C=S)C2=CC(=CC=C2)Br

DOS

IR

Vibrations