Geometry & MOs

Info

ID:

116228

PubChem CID:

50551954

Reduced:

BrClO5N6C30H36 (1)

Stoich.:

ABC5D6E30F36 (1)

Weight, g/mol:

702.19321

ΔHf, kcal/mol:

-197.38

Dipole, Da:

10.57

IP(EA), eV:

 -9.08(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCCC2)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Br)C(=O)N

DOS

IR

Vibrations