Geometry & MOs

Info

ID:

169551

PubChem CID:

75119114

Reduced:

N5O6C31H33 (1)

Stoich.:

A5B6C31D33 (1)

Weight, g/mol:

526.155388

ΔHf, kcal/mol:

-104.19

Dipole, Da:

8.23

IP(EA), eV:

 -8.26(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-5-oxo-N-[2-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C2C(=NN(C2=O)C3=CC=CC=C3)C(=C1)C(=O)N4CCN(CC4)C(=O)C=CC5=CC(=C(C(=C5)OC)OC)OC

DOS

IR

Vibrations