Geometry & MOs

Info

ID:

93707

PubChem CID:

49996243

Reduced:

FO5N6C43H53 (1)

Stoich.:

AB5C6D43E53 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-251.69

Dipole, Da:

1.96

IP(EA), eV:

 -8.8(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorophenyl)methylcarbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC(=C(C=C6)C)F

DOS

IR

Vibrations