Geometry & MOs

Info

ID:

92731

PubChem CID:

49989276

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-245.18

Dipole, Da:

6.12

IP(EA), eV:

 -8.67(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-benzamido-2-chloroanilino)-1-oxopropan-2-yl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC(=C2NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C)C)F

DOS

IR

Vibrations