Geometry & MOs

Info

ID:

106896

PubChem CID:

50180621

Reduced:

O4N5C32H43 (1)

Stoich.:

A4B5C32D43 (1)

Weight, g/mol:

696.26348

ΔHf, kcal/mol:

-163.57

Dipole, Da:

1.67

IP(EA), eV:

 -9.04(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC(C)C4=CC=CC=C4)C

DOS

IR

Vibrations