Geometry & MOs

Info

ID:

106971

PubChem CID:

50183647

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-240.87

Dipole, Da:

8.11

IP(EA), eV:

 -8.95(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations