Geometry & MOs

Info

ID:

109727

PubChem CID:

50295528

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

641.25767

ΔHf, kcal/mol:

-233.47

Dipole, Da:

12.03

IP(EA), eV:

 -8.55(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4CCCCC4)C(=O)NC(C)C

DOS

IR

Vibrations