Geometry & MOs

Info

ID:

193419

PubChem CID:

78391859

Reduced:

ClS2N4O5H19C26 (1)

Stoich.:

AB2C4D5E19F26 (1)

Weight, g/mol:

1282.97239

ΔHf, kcal/mol:

-32.75

Dipole, Da:

4.07

IP(EA), eV:

 -8.87(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-carbamothioylhexadecanamide;N-carbamothioyloctadecanamide;N-carbamothioyloctadec-9-enamide;N-carbamothioyltetradecanamide

Drug info:

PubChemData

Smile

C1C(=CC=C2C=CC=CC2=O)NN(C13C(C(=O)N3C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)S(=O)(=O)O

DOS

IR

Vibrations