Geometry & MOs

Info

ID:

95885

PubChem CID:

50016264

Reduced:

N5O5C34H47 (1)

Stoich.:

A5B5C34D47 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-207.91

Dipole, Da:

7.44

IP(EA), eV:

 -8.86(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)OC

DOS

IR

Vibrations