Geometry & MOs

Info

ID:

214584

PubChem CID:

85083232

Reduced:

FN5O6C28H32 (1)

Stoich.:

AB5C6D28E32 (1)

Weight, g/mol:

553.210738

ΔHf, kcal/mol:

-256.09

Dipole, Da:

2.07

IP(EA), eV:

 -8.99(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-6-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3(CN(C3)C(=O)CCC(=O)C4=CC=C(C=C4)NCC(=O)N)C)F

DOS

IR

Vibrations