Geometry & MOs

Info

ID:

109923

PubChem CID:

50301732

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-206.87

Dipole, Da:

6.46

IP(EA), eV:

 -8.82(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-6-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N(C)C)Cl

DOS

IR

Vibrations