Geometry & MOs

Info

ID:

93042

PubChem CID:

49991088

Reduced:

N5O5C34H45 (1)

Stoich.:

A5B5C34D45 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-203.59

Dipole, Da:

9.12

IP(EA), eV:

 -8.9(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)phenyl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations