Geometry & MOs

Info

ID:

106463

PubChem CID:

50164413

Reduced:

BrO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

682.24783

ΔHf, kcal/mol:

-206.32

Dipole, Da:

9.78

IP(EA), eV:

 -8.58(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)N

DOS

IR

Vibrations