Geometry & MOs

Info

ID:

115599

PubChem CID:

50528192

Reduced:

F3O5N6C41H41 (1)

Stoich.:

A3B5C6D41E41 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-266.27

Dipole, Da:

9.48

IP(EA), eV:

 -8.96(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[(2-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F)C(=O)NC6=CC=CC=C6F

DOS

IR

Vibrations