Geometry & MOs

Info

ID:

109905

PubChem CID:

50301519

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

521.300205

ΔHf, kcal/mol:

-227.67

Dipole, Da:

3.03

IP(EA), eV:

 -8.35(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)Cl)C(=O)N(C)C

DOS

IR

Vibrations