Geometry & MOs

Info

ID:

116334

PubChem CID:

50556778

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

623.323833

ΔHf, kcal/mol:

-222.82

Dipole, Da:

4.84

IP(EA), eV:

 -8.89(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5)C

DOS

IR

Vibrations