Geometry & MOs

Info

ID:

107716

PubChem CID:

50216150

Reduced:

ClO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

561.331505

ΔHf, kcal/mol:

-179.45

Dipole, Da:

6.27

IP(EA), eV:

 -8.92(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC(C)CC)C)Cl

DOS

IR

Vibrations