Geometry & MOs

Info

ID:

110617

PubChem CID:

50332670

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

601.362805

ΔHf, kcal/mol:

-222.9

Dipole, Da:

9.04

IP(EA), eV:

 -8.67(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations