Geometry & MOs

Info

ID:

129049

PubChem CID:

51068120

Reduced:

ClO3N5C27H34 (1)

Stoich.:

AB3C5D27E34 (1)

Weight, g/mol:

539.175789

ΔHf, kcal/mol:

-49.35

Dipole, Da:

4.34

IP(EA), eV:

 -8.59(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=O)CN(CCN4CCOCC4)C(=O)C5CCC5

DOS

IR

Vibrations