Geometry & MOs

Info

ID:

93748

PubChem CID:

49996460

Reduced:

NOC7H10 (6)

Stoich.:

ABC7D10 (6)

Weight, g/mol:

636.343547

ΔHf, kcal/mol:

-282.35

Dipole, Da:

9.89

IP(EA), eV:

 -8.94(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-acetamido-2-fluoroanilino)-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations