Geometry & MOs

Info

ID:

94014

PubChem CID:

49998162

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-277.18

Dipole, Da:

6.87

IP(EA), eV:

 -8.95(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-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)F)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations