Geometry & MOs

Info

ID:

93706

PubChem CID:

49996228

Reduced:

SO4N7C33H47 (1)

Stoich.:

AB4C7D33E47 (1)

Weight, g/mol:

752.406147

ΔHf, kcal/mol:

-161.82

Dipole, Da:

13.27

IP(EA), eV:

 -8.8(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=NN=C(S5)C(C)C

DOS

IR

Vibrations