Geometry & MOs

Info

ID:

325639

PubChem CID:

126684295

Reduced:

SO5N13C21H43 (1)

Stoich.:

AB5C13D21E43 (1)

Weight, g/mol:

654.227632

ΔHf, kcal/mol:

-196.83

Dipole, Da:

7.02

IP(EA), eV:

 -9.09(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-cyano-4-[(E)-2-[5-[(E)-2-[4-(dipropylamino)-2-phenylmethoxyphenyl]ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

C(C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)O)N)CN=C(N)N

DOS

IR

Vibrations