Geometry & MOs

Info

ID:

105729

PubChem CID:

50139305

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-241.59

Dipole, Da:

12.5

IP(EA), eV:

 -8.68(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(piperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)NCC(C)C)C

DOS

IR

Vibrations