Geometry & MOs

Info

ID:	401289
PubChem CID:	135050827
Reduced:	ClOSN2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	335.109233
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	7.17
IP(EA), eV:	-8.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,4E)-4-[(4-methylbenzoyl)hydrazinylidene]-3-phenylbut-2-en-2-yl] thiocyanate

Drug info:

PubChemData

Smile

C1CCC2=CS[N+](=C2CC1)NC(=O)C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations