Geometry & MOs

Info

ID:

117281

PubChem CID:

50597283

Reduced:

ClN5O5C33H38 (1)

Stoich.:

AB5C5D33E38 (1)

Weight, g/mol:

653.14044

ΔHf, kcal/mol:

-171.25

Dipole, Da:

11.86

IP(EA), eV:

 -8.68(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromoanilino)-3-oxopropyl]-1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations