Geometry & MOs

Info

ID:	449616
PubChem CID:	135300082
Reduced:	SN5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	523.294725
ΔH_f, kcal/mol:	50.25
Dipole, Da:	6.39
IP(EA), eV:	-8.6(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-[4-[4-[[(Z)-5-(2-methylpropanoylimino)hex-3-en-2-ylidene]amino]anilino]anilino]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C3=C(CCCC3)C(=N2)N(C)C)C(=N)N4CCNCC4

DOS

IR

Vibrations