Geometry & MOs

Info

ID:

94275

PubChem CID:

49999339

Reduced:

O5N6C40H58 (1)

Stoich.:

A5B6C40D58 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-245.23

Dipole, Da:

8.1

IP(EA), eV:

 -8.94(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations