Geometry & MOs

Info

ID:

90707

PubChem CID:

49971647

Reduced:

N5O5C36H49 (1)

Stoich.:

A5B5C36D49 (1)

Weight, g/mol:

645.38902

ΔHf, kcal/mol:

-213.14

Dipole, Da:

10.07

IP(EA), eV:

 -8.67(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexylcarbamoyl)-2-methoxyphenyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC

DOS

IR

Vibrations