Geometry & MOs

Info

ID:	339625
PubChem CID:	127261615
Reduced:	NSC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	258.072137
ΔH_f, kcal/mol:	23.53
Dipole, Da:	1.93
IP(EA), eV:	-8.99(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[(3E)-3-(carbamothioylhydrazinylidene)cyclohexylidene]amino]thiourea

Drug info:

PubChemData

Smile

CCCCCCC1=CC=CC=C1CSC(=S)NN

DOS

IR

Vibrations