Geometry & MOs

Info

ID:	128892
PubChem CID:	51062462
Reduced:	NOSH13C16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	515.29147
ΔH_f, kcal/mol:	15.4
Dipole, Da:	8.55
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-hexadecoxy-N-[(E)-(4-nitrophenyl)methylideneamino]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=O)C=CN3

DOS

IR

Vibrations