Geometry & MOs

Info

ID:	323579
PubChem CID:	126675506
Reduced:	ON6H14C15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	341.192569
ΔH_f, kcal/mol:	119.15
Dipole, Da:	3.9
IP(EA), eV:	-8.42(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2Z)-5-amino-4-ethenyl-6-imino-2-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methylidene]hex-4-ene-1-thiol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=C2)CC3=CC(=NC4=C3NNN4)N

DOS

IR

Vibrations