Geometry & MOs

Info

ID:

192861

PubChem CID:

78321586

Reduced:

FO2N10C28H33 (1)

Stoich.:

AB2C10D28E33 (1)

Weight, g/mol:

778.259856

ΔHf, kcal/mol:

32.45

Dipole, Da:

1.94

IP(EA), eV:

 -8.6(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[[4-[[(2S)-3-cyano-2-[[4-(cyclopentanecarbonylamino)benzoyl]amino]propanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=NN2C=C1)CN3C4=NC=NC(=C4C(=N3)C5=CC(=CC(=C5)F)O)N)N(CCN(C)C)C6CCOCC6

DOS

IR

Vibrations