Geometry & MOs

Info

ID:

112594

PubChem CID:

50412588

Reduced:

ClO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-225.32

Dipole, Da:

10.29

IP(EA), eV:

 -8.74(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C(=O)N(C)C)Cl)C

DOS

IR

Vibrations