Geometry & MOs

Info

ID:

94054

PubChem CID:

49998373

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-230.47

Dipole, Da:

2.91

IP(EA), eV:

 -8.38(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations