Geometry & MOs

Info

ID:

93794

PubChem CID:

49996660

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-247.17

Dipole, Da:

8.76

IP(EA), eV:

 -8.69(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-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

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C)Cl

DOS

IR

Vibrations