Geometry & MOs

Info

ID:

119468

PubChem CID:

50686545

Reduced:

ClO5N6C36H41 (1)

Stoich.:

AB5C6D36E41 (1)

Weight, g/mol:

688.254289

ΔHf, kcal/mol:

-169.1

Dipole, Da:

4.13

IP(EA), eV:

 -8.9(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCC2)Cl)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations