Geometry & MOs

Info

ID:

92877

PubChem CID:

49990268

Reduced:

O5N6C43H60 (1)

Stoich.:

A5B6C43D60 (1)

Weight, g/mol:

722.415569

ΔHf, kcal/mol:

-246.68

Dipole, Da:

5.46

IP(EA), eV:

 -9.03(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C)C

DOS

IR

Vibrations