Geometry & MOs

Info

ID:

111014

PubChem CID:

50348712

Reduced:

BrClO4N5C28H35 (1)

Stoich.:

ABC4D5E28F35 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-158.71

Dipole, Da:

8.8

IP(EA), eV:

 -9.07(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)Cl)C

DOS

IR

Vibrations