Geometry & MOs

Info

ID:

436390

PubChem CID:

135199699

Reduced:

SN5O9C42H61 (1)

Stoich.:

AB5C9D42E61 (1)

Weight, g/mol:

756.296854

ΔHf, kcal/mol:

-375.32

Dipole, Da:

5.56

IP(EA), eV:

 -8.38(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,3,5,6-tetrafluorophenyl) 8-[[4-[[4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]cyclohexanecarbonyl]amino]octanoate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)CN2C3=C(C=C2C(=O)NC4CCC(CC4)C(=O)NCCCCCCCC(=O)NCCOCCOCCOCCC(=O)O)SC=C3

DOS

IR

Vibrations