Geometry & MOs

Info

ID:

436389

PubChem CID:

135199696

Reduced:

N7O7C55H59 (1)

Stoich.:

A7B7C55D59 (1)

Weight, g/mol:

811.419

ΔHf, kcal/mol:

-198.97

Dipole, Da:

6.83

IP(EA), eV:

 -8.51(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-[2-[8-[[4-[[4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]cyclohexanecarbonyl]amino]octanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N(CC)C(=O)CN2C3=CC=CC=C3C=C2C(=O)NC4CCC(CC4)C(=O)NCCCCCCNC(=O)C5=CC6=C(C=C5)C7(C8=C(C=C(C=C8)N)OC9=C7C=CC(=C9)N)OC6=O

DOS

IR

Vibrations