Geometry & MOs

Info

ID:

106083

PubChem CID:

50148676

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-201.03

Dipole, Da:

8.81

IP(EA), eV:

 -9.08(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)phenyl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl)C

DOS

IR

Vibrations