Geometry & MOs

Info

ID:

90826

PubChem CID:

49972228

Reduced:

O5N6C42H60 (1)

Stoich.:

A5B6C42D60 (1)

Weight, g/mol:

688.431219

ΔHf, kcal/mol:

-245.57

Dipole, Da:

3.99

IP(EA), eV:

 -9.0(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(butan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)NC5CCCCC5C

DOS

IR

Vibrations