Geometry & MOs

Info

ID:	315458
PubChem CID:	126626830
Reduced:	NO3C31H39 (1)
Stoich.:	AB3C31D39 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	7.86
IP(EA), eV:	-8.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[6-amino-2,5-bis(5-methylfuran-2-yl)cyclohexa-2,4-dien-1-ylidene]thiohydroxylamine

Drug info:

PubChemData

Smile

CCC(CC)COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)OCC(CC)CC

DOS

IR

Vibrations