Geometry & MOs

Info

ID:

93710

PubChem CID:

49996285

Reduced:

O5N6C42H60 (1)

Stoich.:

A5B6C42D60 (1)

Weight, g/mol:

688.431219

ΔHf, kcal/mol:

-257.07

Dipole, Da:

11.43

IP(EA), eV:

 -8.73(-0.67)

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-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC5CCCCC5C

DOS

IR

Vibrations