Geometry & MOs

Info

ID:

219780

PubChem CID:

85164889

Reduced:

SnN2O3C29H54 (1)

Stoich.:

AB2C3D29E54 (1)

Weight, g/mol:

597.277178

ΔHf, kcal/mol:

-168.97

Dipole, Da:

6.36

IP(EA), eV:

 -9.46(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[2-[[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]amino]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C=CCNC(=O)C=CC(C)C(C(C)C)OC(=O)C1CCCN1

DOS

IR

Vibrations