Geometry & MOs

Info

ID:

110893

PubChem CID:

50343512

Reduced:

BrO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

710.27913

ΔHf, kcal/mol:

-197.18

Dipole, Da:

7.71

IP(EA), eV:

 -8.93(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)N(C)C)C

DOS

IR

Vibrations