Geometry & MOs

Info

ID:

91488

PubChem CID:

49976359

Reduced:

ClN5O5C29H36 (1)

Stoich.:

AB5C5D29E36 (1)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-197.74

Dipole, Da:

6.27

IP(EA), eV:

 -8.72(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C)Cl

DOS

IR

Vibrations