Geometry & MOs

Info

ID:

311946

PubChem CID:

126599428

Reduced:

O4N6C33H46 (1)

Stoich.:

A4B6C33D46 (1)

Weight, g/mol:

509.117809

ΔHf, kcal/mol:

-118.06

Dipole, Da:

3.74

IP(EA), eV:

 -8.88(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[5-[5-(2-formyloxyacetyl)thiophen-2-yl]thiophen-2-yl]-2-oxoethyl] 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Drug info:

PubChemData

Smile

CCCN(CC1=NC=C(N1)C#CC2=CC=C(C=C2)C3=CN=C(N3)[C@H](C)N(CCC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations