Geometry & MOs

Info

ID:	162850
PubChem CID:	57578092
Reduced:	N3O3H7C9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	706.2654
ΔH_f, kcal/mol:	-46.1
Dipole, Da:	2.52
IP(EA), eV:	-9.64(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E)-5-[5-[(E)-2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]ethenyl]thiophen-2-yl]-2-isocyanopenta-2,4-dienoic acid

Drug info:

PubChemData

Smile

C1C(=NN(C1=O)C2=CN=CC=C2)C(=O)O

DOS

IR

Vibrations