Geometry & MOs

Info

ID:

436381

PubChem CID:

135199611

Reduced:

N3O4C22H27 (1)

Stoich.:

A3B4C22D27 (1)

Weight, g/mol:

823.455385

ΔHf, kcal/mol:

-139.22

Dipole, Da:

8.85

IP(EA), eV:

 -9.31(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[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]propanoate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)CN2C=CC=C2C(=O)NC3CCC(CC3)C(=O)O

DOS

IR

Vibrations