Geometry & MOs

Info

ID:

109626

PubChem CID:

50292130

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

579.20486

ΔHf, kcal/mol:

-257.84

Dipole, Da:

6.28

IP(EA), eV:

 -8.96(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(methylcarbamoyl)phenyl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)N(C)C

DOS

IR

Vibrations