Geometry & MOs

Info

ID:

106466

PubChem CID:

50164416

Reduced:

BrO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

668.23218

ΔHf, kcal/mol:

-218.41

Dipole, Da:

12.63

IP(EA), eV:

 -8.72(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCC4)C)Br

DOS

IR

Vibrations