Geometry & MOs

Info

ID:	31835
PubChem CID:	3720768
Reduced:	S2N3O4C17H21 (1)
Stoich.:	A2B3C4D17E21 (1)
Weight, g/mol:	492.248504
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	6.24
IP(EA), eV:	-8.95(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)hydrazinylidene]-4-[2-[[3-[(4-methoxyphenyl)hydrazinylidene]-4-oxopentan-2-ylidene]amino]ethylimino]pentan-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCN(CC2)CC3=CC=NC=C3

DOS

IR

Vibrations