Geometry & MOs

Info

ID:

94328

PubChem CID:

49999736

Reduced:

ClO5N6C42H59 (1)

Stoich.:

AB5C6D42E59 (1)

Weight, g/mol:

752.406147

ΔHf, kcal/mol:

-251.55

Dipole, Da:

7.94

IP(EA), eV:

 -8.93(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5C)C

DOS

IR

Vibrations