Geometry & MOs

Info

ID:	398804
PubChem CID:	135035483
Reduced:	NSO5C30H45 (1)
Stoich.:	ABC5D30E45 (1)
Weight, g/mol:	408.162649
ΔH_f, kcal/mol:	-178.97
Dipole, Da:	4.77
IP(EA), eV:	-9.13(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-(2-phenylethynyl)phenyl]-N-[(E)-[2-(2-phenylethynyl)phenyl]methylideneamino]methanimine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCCCC=C)CCC2C(=CC(C=C2OC)(CCCCC=C)CO)OC

DOS

IR

Vibrations