Geometry & MOs

Info

ID:	338628
PubChem CID:	127259639
Reduced:	NO2H10F17C19 (1)
Stoich.:	AB2C10D17E19 (1)
Weight, g/mol:	250.088832
ΔH_f, kcal/mol:	-851.52
Dipole, Da:	5.43
IP(EA), eV:	-10.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-(carbamothioylhydrazinylidene)methyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C1=CC=C(C=C1)O/C(=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)/F

DOS

IR

Vibrations