Geometry & MOs

Info

ID:	315142
PubChem CID:	126624590
Reduced:	O3N8C29H44 (1)
Stoich.:	A3B8C29D44 (1)
Weight, g/mol:	516.251875
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	8.58
IP(EA), eV:	-8.98(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2-ethylhexyl)-4-[(2Z)-2-(1-butyl-5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCNC(CC)CN(CC(CC)C(CCC)N)C(=O)C1=CC(=CC=C1)N/N=C/2\C(=C(C(=O)NC2=O)C#N)N

DOS

IR

Vibrations