Geometry & MOs

Info

ID:

109722

PubChem CID:

50295411

Reduced:

O5N6C36H52 (1)

Stoich.:

A5B6C36D52 (1)

Weight, g/mol:

662.415569

ΔHf, kcal/mol:

-243.97

Dipole, Da:

9.9

IP(EA), eV:

 -8.82(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-5-(2-methylpropylcarbamoyl)anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C

DOS

IR

Vibrations