Geometry & MOs

Info

ID:

93527

PubChem CID:

49995130

Reduced:

N5O5C34H47 (1)

Stoich.:

A5B5C34D47 (1)

Weight, g/mol:

667.27332

ΔHf, kcal/mol:

-197.83

Dipole, Da:

6.35

IP(EA), eV:

 -8.81(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2,6-dimethylanilino)-1-oxopropan-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(=O)NC4=C(C=CC(=C4)C)OC

DOS

IR

Vibrations