Geometry & MOs

Info

ID:

93120

PubChem CID:

49991760

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-237.4

Dipole, Da:

7.23

IP(EA), eV:

 -8.49(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[3-methyl-4-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations