Geometry & MOs

Info

ID:

107434

PubChem CID:

50202983

Reduced:

ClO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-238.52

Dipole, Da:

4.55

IP(EA), eV:

 -8.9(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-chloro-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C(=O)NC(C)C)Cl)C

DOS

IR

Vibrations