Geometry & MOs

Info

ID:	315143
PubChem CID:	126624591
Reduced:	SO4N6C25H36 (1)
Stoich.:	AB4C6D25E36 (1)
Weight, g/mol:	593.405339
ΔH_f, kcal/mol:	-108.53
Dipole, Da:	6.64
IP(EA), eV:	-9.62(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis[2-(butylamino)butyl]-2-[(2Z)-2-(4-butyl-5-cyano-2,6-dioxopyridin-3-ylidene)hydrazinyl]benzamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=C(/C(=N/NC2=CC=C(C=C2)S(=O)(=O)NCC(CC)C(CCC)N)/C1=O)C)C#N

DOS

IR

Vibrations