Geometry & MOs

Info

ID:

94928

PubChem CID:

50004999

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

535.315855

ΔHf, kcal/mol:

-235.64

Dipole, Da:

7.7

IP(EA), eV:

 -8.54(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-anilino-1-oxopropan-2-yl)-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)Cl

DOS

IR

Vibrations