Geometry & MOs

Info

ID:

110687

PubChem CID:

50336092

Reduced:

N5O5C33H39 (1)

Stoich.:

A5B5C33D39 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-159.73

Dipole, Da:

4.59

IP(EA), eV:

 -8.72(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations