Geometry & MOs

Info

ID:

85218

PubChem CID:

49872509

Reduced:

N11O14C54H57 (1)

Stoich.:

A11B14C54D57 (1)

Weight, g/mol:

324.104482

ΔHf, kcal/mol:

-389.4

Dipole, Da:

6.12

IP(EA), eV:

 -8.54(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-methylpyridin-3-yl)-3-(4-methylthieno[3,2-c]pyridin-2-yl)imidazolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C)C(=O)OC(=O)C1=CC2=C(C=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NOC(=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C

DOS

IR

Vibrations