Geometry & MOs

Info

ID:

114889

PubChem CID:

50501082

Reduced:

BrClO5N6C26H30 (1)

Stoich.:

ABC5D6E26F30 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-187.93

Dipole, Da:

8.6

IP(EA), eV:

 -9.14(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-5-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC

DOS

IR

Vibrations