Geometry & MOs

Info

ID:

109415

PubChem CID:

50283456

Reduced:

FO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-231.32

Dipole, Da:

3.95

IP(EA), eV:

 -8.77(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCCCC6)C)C)F

DOS

IR

Vibrations