Geometry & MOs

Info

ID:

92541

PubChem CID:

49987919

Reduced:

FO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-275.49

Dipole, Da:

4.96

IP(EA), eV:

 -8.84(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C)F

DOS

IR

Vibrations