Geometry & MOs

Info

ID:

162859

PubChem CID:

57578131

Reduced:

NSO3C32H32 (2)

Stoich.:

ABC3D32E32 (2)

Weight, g/mol:

680.24975

ΔHf, kcal/mol:

-77.88

Dipole, Da:

8.55

IP(EA), eV:

 -7.84(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-[5-[(E)-2-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]ethenyl]thiophen-2-yl]-2-isocyanoprop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=C6C(=C(S5)C7=C8C(=C(S7)/C=C(\C#N)/C(=O)O)OCCO8)OCCO6)C9=CC1=C(C=C9)C2=CC=CC=C2C1(CCCC)CCCC)CCCC

DOS

IR

Vibrations