Geometry & MOs

Info

ID:

230451

PubChem CID:

87570929

Reduced:

ClO2N6C32H41 (1)

Stoich.:

AB2C6D32E41 (1)

Weight, g/mol:

576.297952

ΔHf, kcal/mol:

-52.47

Dipole, Da:

6.26

IP(EA), eV:

 -8.89(-0.73)

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-[1-(1H-pyrrol-2-yl)ethyl]imidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCCC(C)N2CCC(CC2)N3C(CN(C3=O)[C@H](C)C4=CC=CN4)C5=CC=CC=C5)C)Cl

DOS

IR

Vibrations