Geometry & MOs

Info

ID:

94730

PubChem CID:

50003478

Reduced:

N5O6C33H45 (1)

Stoich.:

A5B6C33D45 (1)

Weight, g/mol:

682.384269

ΔHf, kcal/mol:

-239.36

Dipole, Da:

11.52

IP(EA), eV:

 -8.45(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[3-[(2-methylphenyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations