Geometry & MOs

Info

ID:

113426

PubChem CID:

50445221

Reduced:

ClO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

736.313996

ΔHf, kcal/mol:

-199.75

Dipole, Da:

7.02

IP(EA), eV:

 -8.62(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-[(2-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4CCCCC4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations