Geometry & MOs

Info

ID:

230450

PubChem CID:

87570926

Reduced:

FCl2N2S2O4H15C20 (1)

Stoich.:

AB2C2D2E4F15G20 (1)

Weight, g/mol:

576.297952

ΔHf, kcal/mol:

-104.34

Dipole, Da:

7.93

IP(EA), eV:

 -9.11(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-2,4-dimethyl-N-[3-[4-[2-oxo-5-phenyl-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=CC(=C2)C(C(=O)NC3=NC=C(S3)Cl)OC4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations