Geometry & MOs

Info

ID:

94051

PubChem CID:

49998365

Reduced:

BrO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-232.61

Dipole, Da:

11.14

IP(EA), eV:

 -8.83(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C)Br

DOS

IR

Vibrations