Geometry & MOs

Info

ID:

104071

PubChem CID:

50087177

Reduced:

O5N6C38H48 (1)

Stoich.:

A5B6C38D48 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-188.9

Dipole, Da:

3.93

IP(EA), eV:

 -8.84(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations