Geometry & MOs

Info

ID:

115357

PubChem CID:

50520091

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

519.14401

ΔHf, kcal/mol:

-264.76

Dipole, Da:

6.18

IP(EA), eV:

 -8.96(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[5-chloro-2-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations