Geometry & MOs

Info

ID:

115374

PubChem CID:

50521035

Reduced:

ClN5O5C29H38 (1)

Stoich.:

AB5C5D29E38 (1)

Weight, g/mol:

648.14626

ΔHf, kcal/mol:

-203.59

Dipole, Da:

8.39

IP(EA), eV:

 -8.9(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-3-carbamoylanilino)-2-oxoethyl]-1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NCC3=CC=C(C=C3)OC)Cl

DOS

IR

Vibrations