Geometry & MOs

Info

ID:

92923

PubChem CID:

49990538

Reduced:

N2O2C13H18 (3)

Stoich.:

A2B2C13D18 (3)

Weight, g/mol:

736.371511

ΔHf, kcal/mol:

-260.89

Dipole, Da:

12.13

IP(EA), eV:

 -8.76(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations