Geometry & MOs

Info

ID:

90953

PubChem CID:

49972632

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-220.89

Dipole, Da:

4.57

IP(EA), eV:

 -8.77(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-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(=O)NC4=C(C=CC(=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations