Geometry & MOs

Info

ID:

416715

PubChem CID:

135090167

Reduced:

ClSN6O8C37H49 (1)

Stoich.:

ABC6D8E37F49 (1)

Weight, g/mol:

381.216475

ΔHf, kcal/mol:

-322.59

Dipole, Da:

6.03

IP(EA), eV:

 -8.62(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-(3-methoxyphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CN(CC(=O)N1)C(=O)CC2=CC3=C(C=C2Cl)OCCO3)CC4=CC=CC=C4)C)CCSC)C(C)C

DOS

IR

Vibrations