Geometry & MOs

Info

ID:

106549

PubChem CID:

50168092

Reduced:

ClO4N5C32H40 (1)

Stoich.:

AB4C5D32E40 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-166.29

Dipole, Da:

9.36

IP(EA), eV:

 -9.06(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations