Geometry & MOs

Info

ID:

90517

PubChem CID:

49970101

Reduced:

O5N6C36H48 (1)

Stoich.:

A5B6C36D48 (1)

Weight, g/mol:

726.446869

ΔHf, kcal/mol:

-217.35

Dipole, Da:

9.71

IP(EA), eV:

 -8.28(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C)C

DOS

IR

Vibrations