Geometry & MOs

Info

ID:

96449

PubChem CID:

50021080

Reduced:

ClO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-227.14

Dipole, Da:

5.15

IP(EA), eV:

 -8.93(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations