Geometry & MOs

Info

ID:

93192

PubChem CID:

49992373

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-228.08

Dipole, Da:

1.52

IP(EA), eV:

 -9.04(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-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)NCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations