Geometry & MOs

Info

ID:

105572

PubChem CID:

50126480

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-221.39

Dipole, Da:

8.36

IP(EA), eV:

 -9.05(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations